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 |