9FO1

Family S1_16 sulfatase from metagenomic dataset AMOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98011
Spacegroup name	I 21 3
Unit cell lengths	206.314, 206.314, 206.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 3.110
R-factor	0.16331
Rwork	0.162
R-free	0.19249
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.873
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	3.330
High resolution limit [Å]	3.110	3.110
Rmerge	0.600
Rpim	0.132	0.940
Number of reflections	26345	4723
<I/σ(I)>	11.4
Completeness [%]	100.0	99.5
Redundancy	42.1
CC(1/2)	0.996	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M Sodium citrate pH 5.0, 12% PEG 3350