1SS4

Crystal Structure of the Glyoxalase Family Protein APC24694 from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-11
Detector	SBC-3
Wavelength(s)	0.9793
Spacegroup name	P 2 2 21
Unit cell lengths	60.240, 66.093, 102.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.570 - 1.840
R-factor	0.202
Rwork	0.202
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.570	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.083	0.391
Number of reflections	35036
<I/σ(I)>	7
Completeness [%]	96.7	82.7
Redundancy	5.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	298	Sodium acetate, sodium formate, sodium citrate, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	5.3	298	Sodium acetate, sodium formate, sodium citrate, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K