Supplementary of Carbonate Induced by The Moderate Halophile Staphylococcus Warneri YXY2

Yu Han 1, 2, Bin Sun 1,*, Huaxiao Yan 1,2, Maurice E. Tucker 3,4, Yanhong Zhao 1, Jingxuan Zhou 1, Yifan Zhao 1 and Hui Zhao 1,*

1 College of Earth Science and Engineering, College of Chemical and Biological Engineering, Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, Shandong University of Science and Technology, Qingdao 266590, China; [email protected] (Y.H.); [email protected] (H.Y.); [email protected] (Y.Z.); [email protected] (J.Z.); [email protected] (Y.Z.) 2 Laboratory for Marine Resources, Center for Isotope Geochemistry and Geochronology, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China 3 School of Earth Sciences, University of Bristol, BS8 1RJ Bristol, UK; [email protected] 4 Cabot Institute, University of Bristol, Cantock’s Close, BS8 1UJ Bristol, UK * Correspondence: [email protected] (B.S.); [email protected] (H.Z.); Tel.: +86-532-86-057-813 (B.S.); +86-532-86-057-813 (H.Z.)

Received: 4 January 2020; Accepted: 21 January 2020; Published: 22 January 2020

Table S1. Mineral phases and parameters of minerals in the experimental groups.

Mg/Ca Parameters of Aragonite Mineral Phases Molar Ratios FWHM (111) Density (a.u.) 0 , / / 2 Aragonite, Mg-rich calcite 0.201 2.9110 4 Aragonite, Mg-rich calcite 0.214 2.9013 6 Aragonite, Mg-rich calcite 0.223 2.8997 8 Aragonite 0.249 2.8867

Table S2. Crystal parameters of the abiotic and biotic aragonite (Mg/Ca = 8).

Sample Name (0 1 2) (1 1 2) (2 2 1) (0 4 1) Abiotic aragonite 0.298 0.363 0.263 0.271 Biotic aragonite (Mg/Ca = 8) 0.154 0.139 0.126 0.224

Table S3 Parameters of molecular dynamic simulation for the adsorption of Glu onto aragonite surfaces.

Time Dynamics Ensemble Temperature Thermostat Step Time NVT 298 K 1 fs 50 ps Andersen

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100 Staphylococcus warneri AW 25 (NR 025922.1)

94 YXY2 (MF807933)

Staphylococcus caprae DSM 20608 (NR 119252.1) 100 98 Staphylococcus caprae ATCC 35538 9(NR 024665.1)

Staphylococcus epidermidis Fussel (NR_036904.1)

99 Staphylococcus epidermidis NBRC 100911(NR 113957.1)

Brevibacillus brevis DSM 30 (NR 112204.1)

100 Brevibacillus brevis NBRC 15304 (NR 041524.1)

Chromohalobacter canadensis ATCC43984 (NR 025430.1) 100 Chromohalobacter canadensis DSM 769 (NR 114545.1)

0.02

Figure S1. The phylogenetic tree of YXY2.

(a1) (a2)

1 2 1 2

Figure S2. Ammonia of S. warneri YXY2 bacteria (a1: before adding the Nessler’s reagent; a2: after adding the Nessler’s reagent; 1: the control group; 2: the experimental group).

Simulated Agaronite 72.3 % Simulated Calcite 92.01 % (b) Mg/Ca=2 (a) Mg/Ca=0 Experiment Calcite, Mg-rich 27.7 % Experiment vaterite 7.99% Difference Rwp=11.25% Difference Rwp=8.65 % Calcite Calcite, Mg-rich

Vaterite Agaronite

10 20 30 40 50 60 10 20 30 40 50 60 2Theta(°) 2Theta(°)

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Agaronite 84.3% Simulated Agaronite 89.2 % Simulated (c) Mg/Ca=4 (d) Mg/Ca=6 Experiment Mg-rich Calcite 15.7% Experiment Mg-rich Calcite 10.8% Difference Difference Rwp=14.77% Rwp=7.23% Mg-rich Calcite

Mg-rich Calcite Agaronite Agaronite

10 20 30 40 50 60 10 20 30 40 50 60 2Theta(°) 2Theta(°)

Simulated (e) Mg/Ca=8 Agaronite 100%, Rwp=7.24% Experiment Difference

Agaronite

10 20 30 40 50 60 2Theta(°)

Figure S3. Rietveld refinement analyses of the biotic minerals cultivated for 14 days (a, b, c, d, and e represent minerals at Mg/Ca molar ratios of 0, 2, 4, 6, and 8, respectively).

1.0

0.8 Biotic aragonite

0.6

0.4

concentration (ug/mL) Abiotic aragonite Y=3.917X-0.026 2+ 2

Mg 0.2 R =0.99

0.0

0.00 0.05 0.10 0.15 0.20 0.25 0.30 Absorbance

Figure S4. Mg content within the biotic and abiotic aragonite measured using flame atomic absorption spectrometry.

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