2R14
Structure of morphinone reductase in complex with tetrahydroNAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 50.271, 118.888, 180.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 1.400 |
| R-factor | 0.15696 |
| Rwork | 0.156 |
| R-free | 0.18063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.837 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.340 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.097 | 0.493 |
| Number of reflections | 123781 | |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 89.2 | 85.4 |
| Redundancy | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.5M ammonium sulphate, 0.1M Hepes, saturating tetrahydroNAD, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
