6RVH
NADH-dependent Coenzyme A Disulfide Reductase soaked with Menadione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 159.950, 159.950, 255.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.346 - 3.000 |
| R-factor | 0.2163 |
| Rwork | 0.215 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nta |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.967 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.400 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 63717 | 6095 |
| <I/σ(I)> | 4.37 | 1.25 |
| Completeness [%] | 95.0 | |
| Redundancy | 3.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | HEPES-Na, NaCl, FAD, dodecyl-maltoside |
