6RUZ
NADH-dependent Coenzyme A Disulfide Reductase
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 | 159.980, 159.980, 256.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.380 - 2.900 |
| R-factor | 0.2079 |
| Rwork | 0.207 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nta |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.903 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 72881 | 7252 |
| <I/σ(I)> | 5.58 | 1.24 |
| Completeness [%] | 98.2 | 99.3 |
| Redundancy | 4.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | HEPES-Na, NaCl, FAD, dodecyl maltoside |
