4LPL

Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	93.15
Detector technology	CCD
Collection date	2010-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	55.620, 55.671, 88.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.637 - 1.350
R-factor	0.1888
Rwork	0.188
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1a
RMSD bond length	0.006
RMSD bond angle	1.066
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.063	0.044	0.449
Number of reflections	30335
<I/σ(I)>	28.9
Completeness [%]	98.9	94.2	97.7
Redundancy	11	5.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	32% PEG 4000, 225mM MgCl2 100mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K