1GN9
Hybrid Cluster Protein from Desulfovibrio desulfuricans ATCC 27774 X-ray structure at 2.6A resolution using synchrotron radiation at a wavelength of 1.722A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.400, 61.800, 72.200 |
| Unit cell angles | 82.70, 73.70, 87.30 |
Refinement procedure
| Resolution | 25.010 - 2.600 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.26000 |
| Structure solution method | IRON ANOMALOUS AND MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB FROM ENTRY 1E2U EXCLUDING ALL CLUSTER ATOMS AND SOLVENT MOLECULES |
| RMSD bond length | 0.013 |
| RMSD bond angle | 22.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 * | 0.130 * |
| Total number of observations | 114637 * | |
| Number of reflections | 27761 | |
| <I/σ(I)> | 4.2 | 2.6 |
| Completeness [%] | 95.9 | 94.5 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.6 * | 293 | 25% PEG 4000, 0.1M MES PH6.0, T=293K, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 25 (%) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 3 | 1 | drop | protein | 12.6 (mg/ml) | |
| 4 | 1 | drop | Tris-HCl | 20 (mM) | pH7.6 |
| 5 | 1 | drop | 0.2 (M) |
