1F76
ESCHERICHIA COLI DIHYDROOROTATE DEHYDROGENASE
Experimental procedure
| Experimental method | MULTIPLE ANOMALOUS DIFFRACTION |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 108 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-25 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.700, 119.700, 295.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.177 |
| R-free | 0.21700 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 | 0.034 * |
| Number of reflections | 75583 * | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 98.0 | 84.6 |
| Redundancy | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 298 | 3.3 to 3.7 M Na-formate, 0.1 M Na-acetate, 25 mM b-OG, 12-15 mg/ml protein, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 25 (mM) | pH7.0 | |
| 2 | 1 | drop | EDTA | 0.100 (mM) | |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | reservoir | sodium formate | 3.3-3.7 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH3.5-4.5 |
| 7 | 1 | reservoir | beta-octylglucoside prior | 25 (mM) | |
| 8 | 1 | reservoir | protein | 12-15 (mg/ml) |
