4OFS
Crystal structure of a truncated catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from Thermoplasma acidophilum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 107.151, 107.151, 238.618 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.870 - 4.100 |
R-factor | 0.21566 |
Rwork | 0.212 |
R-free | 0.28430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rqc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.632 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.170 |
High resolution limit [Å] | 4.100 | 4.100 |
Rmerge | 0.122 | 0.551 |
Number of reflections | 12274 | |
<I/σ(I)> | 13.06 | 2.48 |
Completeness [%] | 99.2 | 97.4 |
Redundancy | 5.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 8% (w/v) PEG4K; 3% (w/v) PGA; 0.1M Na Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |