4LKS

Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	93.15
Detector technology	CCD
Collection date	2011-07-13
Detector	ADSC QUANTUM 210
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	62.338, 62.325, 85.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.659 - 1.500
R-factor	0.1764
Rwork	0.175
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1a
RMSD bond length	0.007
RMSD bond angle	1.120
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.051	0.033	0.320
Number of reflections	53421
<I/σ(I)>	16.4
Completeness [%]	98.9	95.6	99.9
Redundancy	4.2	4.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.6M ammonium citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K