9R76
Imine Reductase IR91 from Kribbella flavida 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 | PIXEL |
| Collection date | 2017-08-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.020, 109.430, 53.720 |
| Unit cell angles | 90.00, 93.94, 90.00 |
Refinement procedure
| Resolution | 54.720 - 1.490 |
| R-factor | 0.23289 |
| Rwork | 0.232 |
| R-free | 0.25264 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.452 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.720 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.100 | 1.280 |
| Rpim | 0.080 | 1.100 |
| Number of reflections | 96651 | 7159 |
| <I/σ(I)> | 7.3 | 1.1 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.1 | |
| CC(1/2) | 1.000 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M btp buffer pH 5.5 containing 25% (w/v) PEG 3350; 0.2M Li2SO4 |
