4EF8
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with Phenyl isothiocyanate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.461 |
Spacegroup name | P 61 |
Unit cell lengths | 144.190, 144.190, 69.870 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.430 - 1.560 |
R-factor | 0.17726 |
Rwork | 0.176 |
R-free | 0.19352 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.004 |
RMSD bond angle | 1.275 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.430 | 1.650 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.077 | 0.218 |
Number of reflections | 116828 | |
<I/σ(I)> | 18.2 | 7.8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 8.8 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M SODIUM CITRATE TRIBASIC DIHYDRATE pH 5.6, 1.3M LITHIUM SULFATE, 0.3M AMMONIUM SULFATE, VAPOR DIFFUSION, SITTING DROP, temperature 295K |