4BI9
Crystal structure of wild-type SCP2 thiolase from Trypanosoma brucei.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 31 |
| Unit cell lengths | 59.139, 59.139, 377.575 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.751 - 2.450 |
| R-factor | 0.2257 |
| Rwork | 0.224 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zbg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.269 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.750 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.080 | 0.300 |
| Number of reflections | 49740 | |
| <I/σ(I)> | 6.5 | 2 |
| Completeness [%] | 91.5 | 90.7 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 100MM SODIUM CITRATE PH5.6, 200MM AMMONIUM ACETATE AND 30% PEG4000 |
