4EF9
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 4-Nitrophenyl 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 | 2011-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.305 |
Spacegroup name | P 61 |
Unit cell lengths | 143.910, 143.910, 69.621 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.680 - 1.600 |
R-factor | 0.16855 |
Rwork | 0.168 |
R-free | 0.18490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.004 |
RMSD bond angle | 1.267 |
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] | 23.470 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.093 | 0.770 |
Number of reflections | 108237 | |
<I/σ(I)> | 17.6 | 4.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.7 | 11 |
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 |