3MHU
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
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 | 2009-06-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.437 |
| Spacegroup name | P 61 |
| Unit cell lengths | 141.562, 141.562, 68.811 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.470 - 1.850 |
| R-factor | 0.15995 |
| Rwork | 0.158 |
| R-free | 0.19397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gye |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.248 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.470 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.085 | 0.552 |
| Number of reflections | 65142 | |
| <I/σ(I)> | 14.9 | 2.7 |
| Completeness [%] | 97.6 | 98.8 |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1M sodium citrate tribasic dihydrate pH 5.6, 1.1M lithium sulfate, 0.45M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
