4BMV
Short-chain dehydrogenase from Sphingobium yanoikuyae in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Collection date | 2012-12-02 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 144.910, 86.840, 155.610 |
| Unit cell angles | 90.00, 106.36, 90.00 |
Refinement procedure
| Resolution | 139.040 - 2.500 |
| R-factor | 0.23472 |
| Rwork | 0.234 |
| R-free | 0.25055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p19 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 139.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.540 |
| Number of reflections | 133601 | |
| <I/σ(I)> | 8.2 | 3 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1M MES BUFFER PH 5.5 WITH 0.3 M SODIUM ACETATE AND 15% (W/V) PEG 4K, WITH A PROTEIN CONCENTRATION OF 20 MG ML-1. CRYSTALS WERE SOAKED WITH 10 MM NADPH FOR 5 MIN |
