7MYD
Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
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 | 2011-04-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.437 |
Spacegroup name | P 61 |
Unit cell lengths | 143.071, 143.071, 68.997 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.770 - 2.150 |
Rwork | 0.178 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.006 |
RMSD bond angle | 1.314 |
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] | 35.770 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.137 | 0.803 |
Number of reflections | 43015 | 6253 |
<I/σ(I)> | 11.9 | 2.6 |
Completeness [%] | 97.8 | 98.1 |
Redundancy | 7 | 6.7 |
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 |