2QEE

Crystal structure of putative amidohydrolase BH0493 from Bacillus halodurans C-125

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-08
Detector	MAR CCD 165 mm
Wavelength(s)	0.97900
Spacegroup name	P 1
Unit cell lengths	121.995, 122.208, 127.582
Unit cell angles	78.85, 78.95, 80.92

Refinement procedure

Resolution	19.990 - 1.650
R-factor	0.189
Rwork	0.187
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q08
RMSD bond length	0.018
RMSD bond angle	1.604
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.044	0.026	0.384
Number of reflections	759838
<I/σ(I)>	12.6
Completeness [%]	88.5	97.1	49.1
Redundancy	2.1	2.4	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1M Bis-Tris pH 6.5, 45% PPG P 400 (INDEX E10), VAPOR DIFFUSION, SITTING DROP, temperature 294K