7JVI

Crystal structure of a beta-helix domain retrieved from capybara gut metagenome

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	2018-12-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	39.979, 144.507, 169.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 1.850
R-factor	0.1886
Rwork	0.187
R-free	0.21260
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.380	46.380	1.960
High resolution limit [Å]	1.850	5.520	1.850
Rmerge	0.129	0.045	1.800
Rmeas	0.138	0.048	1.920
Total number of observations	752455
Number of reflections	85143	3504	13557
<I/σ(I)>	10.37	38.32	0.97
Completeness [%]	100.0	99.7	100
Redundancy	8.838	8.493	8.999
CC(1/2)	0.998	0.998	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG 6000, 0.1 M sodium acetate pH 5.0, 0,2 M sodium chloride