8VA4

Crystal structure of CapGH16_3 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]	100
Detector technology	PIXEL
Collection date	2019-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 43 21 2
Unit cell lengths	76.701, 76.701, 131.121
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.790 - 1.960
R-factor	0.2254
Rwork	0.222
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iln
RMSD bond length	0.003
RMSD bond angle	0.561
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.790	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	27734	2772
<I/σ(I)>	13.77
Completeness [%]	96.1
Redundancy	23.2
CC(1/2)	0.990	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M sodium chloride, 0.1 M sodium phosphate citrate pH 4.2, PEG8000 (20% v/v), 0.01 M calcium chloride