3ZBL
Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123S mutant.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-20 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | P 65 |
| Unit cell lengths | 123.274, 123.274, 133.012 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 106.760 - 1.900 |
| R-factor | 0.19051 |
| Rwork | 0.189 |
| R-free | 0.22188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zbg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.647 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.100 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.170 | 0.640 |
| Number of reflections | 87756 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 13.3 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 100 MM MES PH6.5, 10% MME PEG 5000, 10% DMSO, 10% MPD |
