5K6M

Structure of a GH3 b-glIcosidase from cow rumen metagenome in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	50.631, 119.182, 157.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.020 - 2.170
R-factor	0.17699
Rwork	0.175
R-free	0.21824
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k6l
RMSD bond length	0.007
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.020	2.240
High resolution limit [Å]	2.170	2.170
Rmerge	0.127	0.579
Number of reflections	51199
<I/σ(I)>	11	3.3
Completeness [%]	99.7	99.9
Redundancy	6.6	6.6
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG 3350, 0.2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, then soaked in 20% glucose.