3QTH

Crystal structure of a DinB-like protein (CPS_3021) from Colwellia psychrerythraea 34H at 2.20 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-28
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	52.112, 75.026, 101.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.159 - 2.200
R-factor	0.183
Rwork	0.182
R-free	0.20890
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.159	29.159	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge		0.050	0.941
Total number of observations		1631	10860
Number of reflections	20863
<I/σ(I)>	10.4	12.5	0.8
Completeness [%]	100.0	95.8	100
Redundancy	7.2	5.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.700M (NH4)2SO4, 15.00% Glycerol, 1.700% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K