2R9E
The structure of the binary complex of citryl dethia COA and citrate synthase from the thermophilic archaeonthermoplasma acidophilum
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 | CCD |
Collection date | 2006-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97917 |
Spacegroup name | P 1 |
Unit cell lengths | 67.061, 73.498, 89.983 |
Unit cell angles | 99.35, 98.19, 113.89 |
Refinement procedure
Resolution | 33.280 - 1.950 |
R-factor | 0.15984 |
Rwork | 0.157 |
R-free | 0.21485 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.581 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.118 | 0.300 |
Number of reflections | 106109 | |
<I/σ(I)> | 27.5 | 2.3 |
Completeness [%] | 97.3 | 79.7 |
Redundancy | 5.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 280 | 17 % PEG 4000, 100MM HEPES, 200MM SODIUM ACETATE, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 280K |