1R61

The structure of predicted metal-dependent hydrolase from Bacillus stearothermophilus

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	2003-04-21
Detector	CUSTOM-MADE
Wavelength(s)	1.2814
Spacegroup name	P 41 21 2
Unit cell lengths	118.434, 118.434, 123.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.500
R-factor	0.17757
Rwork	0.176
R-free	0.21521
Structure solution method	MIRAS
RMSD bond length	0.019
RMSD bond angle	1.796
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.833
Number of reflections	31051
<I/σ(I)>	34.6	2.72
Completeness [%]	99.9	100
Redundancy	6.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	Tris-HCl, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	Tris-HCl, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	Tris-HCl, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K