5KVS
Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1887 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.389, 148.553, 65.396 |
| Unit cell angles | 90.00, 95.30, 90.00 |
Refinement procedure
| Resolution | 36.037 - 1.280 |
| R-factor | 0.1622 |
| Rwork | 0.162 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kvq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.420 | 1.340 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.056 | 0.488 |
| Number of reflections | 196862 | |
| <I/σ(I)> | 12.5 | 2.5 |
| Completeness [%] | 96.7 | 84.6 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 297 | 0.2 M sodium formate, pH 7.3, 20% PEG 3,350 |
