3SED
Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.080, 94.978, 72.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.559 - 1.302 |
| R-factor | 0.2106 |
| Rwork | 0.209 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oho |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.600 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.558 |
| Number of reflections | 26517 | |
| <I/σ(I)> | 1.5 | 1.5 |
| Redundancy | 5.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.4 M Ammonium sulfate 6.5% Isopropyl alcohol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
