4GMG
NADP+ bound structure of a Thiazolinyl Imine Reductase from Yersinia enterocolitica (Irp3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.415, 93.817, 181.987 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.890 - 2.310 |
| R-factor | 0.20017 |
| Rwork | 0.197 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.926 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.890 | 2.430 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Number of reflections | 63447 | |
| <I/σ(I)> | 11.2 | 3.2 |
| Completeness [%] | 99.6 | 98.5 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris-HCl pH 8.0, 13% PEG 3350 (w/v), 0.11 M magnesium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
