6CIP
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with acetyl-TPP 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) | 0.97890 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 342.005, 108.263, 240.437 |
| Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
| Resolution | 97.448 - 3.189 |
| R-factor | 0.1892 |
| Rwork | 0.187 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cin |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.550 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.260 |
| High resolution limit [Å] | 3.189 | 3.190 |
| Number of reflections | 132748 | 5773 |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 97.2 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 15-16% (w/v) PEG 4000, 0.21 M (NH4)2SO4 and 0.10 M MES pH 6.0 |
