3TQ0
Crystal structure of Leishmania major dihydroorotate dehydrogenase in complex with fumarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-24 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 61 |
Unit cell lengths | 140.833, 140.833, 68.348 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.810 - 1.900 |
R-factor | 0.16549 |
Rwork | 0.165 |
R-free | 0.18193 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.009 |
RMSD bond angle | 1.347 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.812 | |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 60966 | |
<I/σ(I)> | 8.12 | |
Redundancy | 10.55 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 1.3 M lithium sulfate, 0.3 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |