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 |