2OGT
Crystal Structure of the Geobacillus Stearothermophilus Carboxylesterase EST55 at pH 6.8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2003-10-15 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.361, 74.430, 98.606 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.580 |
R-factor | 0.1727 |
Rwork | 0.173 |
R-free | 0.24070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qe3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.026 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.080 | 0.378 |
Number of reflections | 68569 | |
<I/σ(I)> | 17.5 | 2.8 |
Completeness [%] | 97.8 | 91.5 |
Redundancy | 5.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | PEG3350,POTASSIUM IODINE, PH 6.8, VAPOR DIFFUSION, HANGING DROP |