4QQS

Crystal structure of a thermostable family-43 glycoside hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-27
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	44.133, 73.882, 87.520
Unit cell angles	90.00, 94.27, 90.00

Refinement procedure

Resolution	44.010 - 1.100
R-factor	0.123
Rwork	0.122
R-free	0.14500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kst
RMSD bond length	0.009
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.011	1.200
High resolution limit [Å]	1.100	1.100
Number of reflections	213964
<I/σ(I)>		7.7
Completeness [%]	94.5	89.3
Redundancy		5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2	298	0.1 M Hepes pH 6.2, 0.16 M potassium thiocyanate and 25% (w/v) polyethylene glycol 3350, 0.15 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K