5LNQ
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-31 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.141, 89.804, 123.716 |
| Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
| Resolution | 119.630 - 1.980 |
| R-factor | 0.19113 |
| Rwork | 0.189 |
| R-free | 0.22607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zbn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.852 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.630 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.150 | 0.720 |
| Number of reflections | 108328 | |
| <I/σ(I)> | 6.9 | 2 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.990 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100 mM Bis Tris propane, pH 7.5, 0.2M sodium fluoride and 20% w/v PEG 3350 |
