4W88

Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with a xyloglucan oligosaccharide 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	97.658, 97.658, 95.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.560 - 1.580
R-factor	0.12668
Rwork	0.125
R-free	0.16158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure of XEG5A
RMSD bond length	0.020
RMSD bond angle	2.129
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.580	1.580
Number of reflections	139797
<I/σ(I)>	10.43
Completeness [%]	99.3	97.6
Redundancy	10.4

Crystallization Conditions

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