1R1D
Structure of a Carboxylesterase from Bacillus stearothermophilus
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2003-07-02 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97923 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.922, 81.683, 130.582 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.280 - 2.000 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.24500 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | d*TREK |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 27.280 |
High resolution limit [Å] | 1.900 |
Number of reflections | 47271 |
Completeness [%] | 94.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | ammonium sulfate, PEG 3350, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |