3KLJ
Crystal structure of NADH:rubredoxin oxidoreductase from Clostridium acetobutylicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2008-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 98.576, 98.576, 88.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.2157 |
| Rwork | 0.214 |
| R-free | 0.25435 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.052 | 0.442 |
| Number of reflections | 25983 | |
| <I/σ(I)> | 11.7 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 35% (v/v) PEG 400, 0.1M Tris-HCl pH 8.5, 0.15M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
