6JIZ
Apo structure of an imine reductase at 1.76 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 106.659, 106.659, 168.557 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.003 - 1.763 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.19180 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.832 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.763 | 1.770 |
| Rmerge | 0.120 | |
| Number of reflections | 2076998 | |
| <I/σ(I)> | 36.227 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.2 | |
| CC(1/2) | 0.246 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Bis-tris pH 7.0, 1M citrate sodium pH 7.0 |
