4W86

Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose and TRIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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)	1.459
Spacegroup name	P 31
Unit cell lengths	96.950, 96.950, 95.785
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.520 - 2.640
R-factor	0.2157
Rwork	0.214
R-free	0.23630
RMSD bond length	0.004
RMSD bond angle	0.877
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.800
High resolution limit [Å]	2.640	7.820	2.640
Rmerge	0.135	0.029
Rmeas	0.141	0.030	1.462
Total number of observations	309675
Number of reflections	36412	1139	3919
<I/σ(I)>	16.01	68.21
Completeness [%]	96.7	99.6	81.5
Redundancy	10.8

Crystallization Conditions

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