1UPX
The crystal structure of the Hybrid Cluster Protein from Desulfovibrio desulfuricans containing molecules in the oxidized and reduced states.
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 | 2000-05-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.300, 61.200, 72.000 |
| Unit cell angles | 82.80, 73.70, 87.30 |
Refinement procedure
| Resolution | 27.520 - 1.250 |
| R-factor | 0.14 |
| Rwork | 0.140 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e2u |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.351 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.082 | 0.271 |
| Number of reflections | 280898 | |
| <I/σ(I)> | 3.6 | 1.3 |
| Completeness [%] | 84.8 | 70 |
| Redundancy | 2.3 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 * | 279 | 25% PEG 8000, 0.1M MES PH6.0, TEMPERATURE 279 KELVIN, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 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) |
