8VA7

Crystal structure of CapGH3a enzyme retrieved from capybara gut metagenome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979340
Spacegroup name	C 1 2 1
Unit cell lengths	135.609, 132.867, 99.217
Unit cell angles	90.00, 116.27, 90.00

Refinement procedure

Resolution	47.220 - 2.600
R-factor	0.2245
Rwork	0.222
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.420
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.220	7.710	2.760
High resolution limit [Å]	2.600	5.490	2.600
Rmerge	0.178	0.081	1.780
Rmeas	0.193
Number of reflections	46772	3305	7693
<I/σ(I)>	9.55
Completeness [%]	96.2
Redundancy	6.8
CC(1/2)	0.999	0.997	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M imidazole pH 8.0, PEG8000 (11% v/v)