4W84

Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in the native form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979, 0.932
Spacegroup name	P 31
Unit cell lengths	97.241, 97.241, 95.678
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.607 - 1.790
R-factor	0.1796
Rwork	0.178
R-free	0.20220
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	0.978
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.890
High resolution limit [Å]	1.790	5.330	1.790
Rmerge	0.103	0.029
Rmeas	0.114	0.032	1.678
Total number of observations	1056374
Number of reflections	190946	7219	30032
<I/σ(I)>	11.95	46.51
Completeness [%]	99.3	99.7	96.3
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350, PEG400, magnesium chloride