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 |