3CT8

Crystal structure of a putative glyoxalase (NP_243026.1) from Bacillus halodurans at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.92522, 0.97922, 0.97464
Spacegroup name	P 41 21 2
Unit cell lengths	51.380, 51.380, 116.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.528 - 2.100
R-factor	0.217
Rwork	0.216
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.918
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.528	26.528	2.160
High resolution limit [Å]	2.090	4.490	2.090
Rmerge	0.052	0.023	0.902
Number of reflections	9659	1793	1296
<I/σ(I)>	15.3	45	1.6
Completeness [%]	97.6	98.8	77.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 40.0% MPD, 5.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K