4W87

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

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	96.504, 96.504, 95.857
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.140 - 2.150
R-factor	0.1903
Rwork	0.188
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure of XEG5A
RMSD bond length	0.016
RMSD bond angle	1.776
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		2.280
High resolution limit [Å]	2.150	6.400	2.150
Rmerge	0.200	0.061
Rmeas	0.223	0.066	1.350
Total number of observations	285791
Number of reflections	53072	2055	8433
<I/σ(I)>	7.72	27.95
Completeness [%]	97.6	99.7	96.1
Redundancy	5.3

Crystallization Conditions

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