3ZBG
Crystal structure of wild-type SCP2 thiolase from Leishmania mexicana at 1.85 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 122.249, 122.249, 133.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 105.870 - 1.850 |
| R-factor | 0.16363 |
| Rwork | 0.162 |
| R-free | 0.19557 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1afw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.809 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.740 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.120 | 0.930 |
| Number of reflections | 95952 | |
| <I/σ(I)> | 11.9 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.7 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 100 MM MES PH6.5, 10% MME PEG5000, 10% DMSO, 10% MPD |
