7MX6
Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
This is a non-PDB format compatible entry.
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 | 2011-02-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.437 |
| Spacegroup name | P 61 |
| Unit cell lengths | 142.195, 142.195, 68.735 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.240 - 1.800 |
| Rwork | 0.163 |
| R-free | 0.18440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gye |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.309 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.240 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.085 | 0.704 |
| Number of reflections | 73441 | 10637 |
| <I/σ(I)> | 14.8 | 2.5 |
| Completeness [%] | 100.0 | 98.8 |
| Redundancy | 6.4 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM sodium citrate tribasic dihydrate, pH 5.6, 1.3 M lithium sulfate, 0.30 M ammonium sulfate |
