8P2J
Imine Reductase from Ajellomyces dermatitidis in space group C21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-04-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97631 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 204.620, 87.970, 162.580 |
| Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
| Resolution | 97.160 - 1.730 |
| R-factor | 0.16767 |
| Rwork | 0.166 |
| R-free | 0.19326 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.160 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.090 | 1.160 |
| Rpim | 0.060 | 0.710 |
| Number of reflections | 278614 | 20244 |
| <I/σ(I)> | 11.2 | 1.6 |
| Completeness [%] | 98.8 | |
| Redundancy | 6.9 | |
| CC(1/2) | 1.000 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M MES pH 6.0; 0.2 M MgCl2; 20% PEG 6000 |
