2RHR
P94L actinorhodin ketordeuctase mutant, with NADPH and Inhibitor Emodin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-05 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 104.778, 104.778, 123.364 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| Rwork | 0.184 |
| R-free | 0.21600 |
| Starting model (for MR) | PDB ID 1X7H |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.336 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.093 | 0.499 |
| Number of reflections | 27802 | |
| <I/σ(I)> | 21.3 | 5.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.8 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 3.8-4.8 M sodium formate, pH 7.5, hanging drop, temperature 298K |
