2QE9

Crystal structure of a putative metal-dependent hydrolase (yiza, bsu10800) from bacillus subtilis at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97925
Spacegroup name	P 41 21 2
Unit cell lengths	53.184, 53.184, 251.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.761 - 1.900
R-factor	0.187
Rwork	0.185
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.429
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.761	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.094	0.046	0.920
Total number of observations		2183	14662
Number of reflections	29798
<I/σ(I)>	5.4	12.4	0.8
Completeness [%]	100.0	97.6	100
Redundancy	6.7	5.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	NANODROP, 0.2M NaCl, 10.0% PEG 3000, 0.1M Phosphate Citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K