6CIN
Crystal structure of pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica
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 | 2014-11-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 340.611, 106.634, 239.079 |
Unit cell angles | 90.00, 109.31, 90.00 |
Refinement procedure
Resolution | 88.952 - 2.600 |
R-factor | 0.1965 |
Rwork | 0.195 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c42 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.561 |
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 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 247841 | 11915 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 98.5 | |
Redundancy | 3.3 |
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 |