2P2W
Crystal structure of citrate synthase from Thermotoga maritima MSB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-20 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 87.337, 139.093, 76.749 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.175 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.392 |
| Number of reflections | 37016 | |
| <I/σ(I)> | 10.2 | 3.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.6 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil microbatch | 5 | 291 | 20% PEG 3350, 0.2M di-ammonium hydrogen citrate, pH 5.0, oil microbatch, temperature 291K |
