1OA0
REDUCED HYBRID CLUSTER PROTEIN FROM DESULFOVIBRIO DESULFURICANS X-RAY STRUCTURE AT 1.25A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.750, 61.990, 72.800 |
| Unit cell angles | 82.72, 73.74, 87.44 |
Refinement procedure
| Resolution | 29.490 - 1.250 |
| R-factor | 0.13358 |
| Rwork | 0.133 |
| R-free | 0.14800 * |
| Structure solution method | DIRECT METHODS |
| Starting model (for MR) | [4FE-4S] CUBANE CLUSTER FROM PDB ENTRY 1GNL |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.245 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | ACORN |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.630 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.040 | 0.098 |
| Total number of observations | 448850 * | |
| Number of reflections | 246621 | |
| <I/σ(I)> | 7.8 | 3.6 |
| Completeness [%] | 92.7 | 78.7 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 * | 279 * | 35% PEG 4000, 0.1M MES PH6.5, TEMPERATURE 277 KELVIN, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 35 (%) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | drop | protein | 12.6 (mg/ml) | |
| 4 | 1 | drop | Tris-HCl | 20 (mM) | pH7.6 |
| 5 | 1 | drop | 0.2 (M) |
