4W89

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

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	96.704, 96.704, 95.719
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.200 - 2.400
R-factor	0.2222
Rwork	0.220
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure of XEG5A
RMSD bond length	0.005
RMSD bond angle	0.947
Data scaling software	XDS
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.550
High resolution limit [Å]	2.400	7.130	2.400
Rmerge	0.191	0.033
Rmeas	0.211	0.037	1.425
Total number of observations	211116
Number of reflections	38307	1479	6107
<I/σ(I)>	10.01	41.66
Completeness [%]	97.9	99.3	96.4
Redundancy	5.5

Crystallization Conditions

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