3I9H

Crystal structure of a betagamma-crystallin domain from Clostridium beijerinckii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-10-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	67.500, 103.710, 105.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.000
Rwork	0.206
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nps
RMSD bond length	0.005
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.074	0.037	0.365
Number of reflections	49951
<I/σ(I)>	10.6
Completeness [%]	98.7	99.7	95.4
Redundancy	4.8	5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	26% PEG3350, 0.1M HEPES, 0.2M Li2SO4, pH7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K