6CIQ
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with coenzyme A bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 337.710, 106.993, 120.465 |
| Unit cell angles | 90.00, 109.85, 90.00 |
Refinement procedure
| Resolution | 80.252 - 3.302 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cin |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 58817 | 2499 |
| <I/σ(I)> | 3.5 | |
| Completeness [%] | 97.3 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 13% (w/v) PEG 6000, 0.06 M sodium cacodylate pH 6.5 |
