2OIW
The structure of a predicted thioesterase from Bacillus stearothermophilus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-22 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97911, 0.97925 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.521, 93.051, 75.844 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.520 - 2.000 |
R-factor | 0.17847 |
Rwork | 0.176 |
R-free | 0.23260 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.433 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.520 | 2.052 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 32522 | |
<I/σ(I)> | 7.4 | 3.3 |
Completeness [%] | 91.9 | 67.72 |
Redundancy | 5.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 291 | 0.1M TRIS-HCl pH 8.6, 0.2M MgCl2, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |