3ZBN
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with Coenzyme A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-23 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.260, 89.830, 126.240 |
| Unit cell angles | 90.00, 105.80, 90.00 |
Refinement procedure
| Resolution | 121.470 - 2.450 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zbg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.565 |
| 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] | 72.200 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.150 | 0.350 |
| Number of reflections | 62765 | |
| <I/σ(I)> | 10.2 | 2.6 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 6.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS PH 8.0, 200 MM NACL AND 20 % PEG 4000 |
