4LQR

Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens

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	2009-10-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	38.766, 52.562, 70.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.960 - 1.580
R-factor	0.1626
Rwork	0.161
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1a
RMSD bond length	0.024
RMSD bond angle	2.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge	0.042	0.035	0.084
Number of reflections	20155
Completeness [%]	98.9	98.4	91
Redundancy	5.4	7.1	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG 10000, 100mM HEPES 50mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K