3GX9
Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9696 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 49.651, 122.941, 179.587 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 2.280 |
| R-factor | 0.18545 |
| Rwork | 0.183 |
| R-free | 0.22935 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r14 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.795 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 2.500 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.077 | 0.291 |
| Number of reflections | 23517 | |
| <I/σ(I)> | 7.4 | 2.5 |
| Completeness [%] | 92.1 | 94.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M Hepes, pH7.5, 0.1M MgCl2, 35% PEG400, Crystals were soaked in a 50% Ammonium sulfate Solution, containing 100mM NADH4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
