2PDA
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PYRUVATE-FERREDOXIN OXIDOREDUCTASE FROM DESULFOVIBRIO AFRICANUS AND PYRUVATE.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.000, 146.300, 211.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.000 |
| R-factor | 0.234 * |
| Rwork | 0.234 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.000 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.854) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.098 * | 0.179 * |
| Number of reflections | 50700 | |
| <I/σ(I)> | 6.9 | 4.1 |
| Completeness [%] | 94.2 | 96.1 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.5 * | 293 * | Pieulle, L., (1999) Acta Crystallogr., Sect.D, 55, 329. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | pH8.5 |
| 2 | 1 | reservoir | PEG6000 | 12-15 (%) | |
| 3 | 1 | reservoir | 100 (mM) | can be replaced by 10mM BaCl2. CaCl2, CoCl2 or MnCl2. | |
| 4 | 1 | reservoir | sodium cacodylate | 100 (mM) |
