8OZW
Imine Reductase from Ajellomyces dermatitidis in complex NADPH4
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 | PIXEL |
Collection date | 2016-12-12 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 89.390, 89.390, 136.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.410 - 2.010 |
Rwork | 0.200 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.410 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.110 | 1.540 |
Rpim | 0.050 | 0.660 |
Number of reflections | 42264 | 3099 |
<I/σ(I)> | 19.9 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 11.4 | |
CC(1/2) | 1.000 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1 M PCTP pH 4.0; 25% (w/v) PEG 1500; protein at 10 mg per mL with 2 mM NADPH4 |