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 |