3MJY
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic 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 | 2009-03-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.437 |
Spacegroup name | P 61 |
Unit cell lengths | 141.264, 141.264, 68.743 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.410 - 1.960 |
R-factor | 0.16024 |
Rwork | 0.158 |
R-free | 0.19785 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.008 |
RMSD bond angle | 1.169 |
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] | 35.310 | 2.070 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.118 | 0.651 |
Number of reflections | 56251 | |
<I/σ(I)> | 14.3 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7.4 |
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 amonium sulfate , VAPOR DIFFUSION, SITTING DROP, temperature 293K |