1JKX
Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.140, 56.010, 76.130 |
| Unit cell angles | 80.83, 71.71, 83.69 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBD ENTRY 1C2T |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA) |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.325 |
| Number of reflections | 106828 | 6398 * |
| <I/σ(I)> | 6.2 | 2.2 |
| Completeness [%] | 94.4 | 76.4 |
| Redundancy | 1.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 22 * | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 14 (%) | |
| 3 | 1 | reservoir | 0.15 (M) | ||
| 4 | 1 | reservoir | MPD | 4 (%) | |
| 5 | 1 | reservoir | imidazole/malate | 0.1 (M) | pH7.4 |
