6MSO
Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.741, 138.443, 138.073 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.881 - 2.053 |
R-factor | 0.1668 |
Rwork | 0.159 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5l2r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.021 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 180831 | |
<I/σ(I)> | 9.75 | 1.33 |
Completeness [%] | 98.6 | |
Redundancy | 6.3 | |
CC(1/2) | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 0.1 M HEPES pH 7.5, 2.2 M ammonium sulfate, 4 % PEG 400, 10 mM RS-thiomalate |