4PVC
Crystal structure of yeast methylglyoxal/ isovaleraldehyde reductase Gre2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9701 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.721, 97.845, 139.003 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.22612 |
| Rwork | 0.224 |
| R-free | 0.26593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y1p |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.044 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.207 |
| Number of reflections | 45207 | |
| <I/σ(I)> | 18.07 | 6.323 |
| Completeness [%] | 99.2 | 97.1 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 25% polyethylene glycol 2000 mmE, 0.2M (NH4)2SO4, 0.1M sodium acetate pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K |
