3ZHB
R-imine reductase from Streptomyces kanamyceticus in complex with NADP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2012-07-29 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 205.790, 130.310, 77.700 |
| Unit cell angles | 90.00, 107.08, 90.00 |
Refinement procedure
| Resolution | 74.270 - 2.730 |
| R-factor | 0.18681 |
| Rwork | 0.185 |
| R-free | 0.21649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yb4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.790 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.270 | 2.800 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.080 | 0.600 |
| Number of reflections | 51705 | |
| <I/σ(I)> | 12.2 | 2 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 35% (V/V) TASCIMATE PH 7.0 WITH 2.5% (V/V) ETHYLENE GLYCOL. 10 MG ML-1 PROTEIN. CRYSTALS WERE SOAKED WITH MOTHER LIQUOR CONTAINING 10 MM NADPH PRIOR TO FLASH COOLING |
