4GMF
Apo Structure of a Thiazolinyl Imine Reductase from Yersinia enterocolitica (Irp3)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-29 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.000034,0.97915,0.97944,0.91837 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.871, 93.903, 181.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.970 - 1.850 |
| R-factor | 0.19791 |
| Rwork | 0.196 |
| R-free | 0.24241 |
| Structure solution method | MAD |
| Starting model (for MR) | SeMet Irp3 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.008 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.030 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 122197 | |
| <I/σ(I)> | 12.4 | 3.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 303 | 0.1 M HEPES pH 7.3, 32% PEG 3350 (w/v), 0.25 M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
