5LOT
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetyl-CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-21 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.701, 89.889, 126.332 |
| Unit cell angles | 90.00, 105.78, 90.00 |
Refinement procedure
| Resolution | 47.300 - 2.250 |
| R-factor | 0.2155 |
| Rwork | 0.213 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zbn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.504 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.120 | 0.480 |
| Number of reflections | 76184 | |
| <I/σ(I)> | 10.6 | 1.4 |
| Completeness [%] | 98.2 | 89 |
| Redundancy | 7.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 100 mM Tris, pH 8.0, 0.2 M lithium chloride and 20% w/v PEG 6000 |
