4W8B

Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG

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)	0.954
Spacegroup name	P 61
Unit cell lengths	120.632, 120.632, 59.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.490 - 1.150
R-factor	0.1041
Rwork	0.103
R-free	0.12240
RMSD bond length	0.025
RMSD bond angle	2.192
Data scaling software	XDS
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.220
High resolution limit [Å]	1.150	3.440	1.150
Rmerge	0.053	0.020
Rmeas	0.056	0.022	0.294
Total number of observations	1377786
Number of reflections	165780	6643	23972
<I/σ(I)>	26.38	81.55
Completeness [%]	95.7	99.9	85.9
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	ammonium sulfate, sodium citrate, glycerol