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 |
