3TRO
Crystal Structure of Leishmania major dihydroorotate dehydrogenase mutant D171A
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 | 2011-07-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.437 |
Spacegroup name | P 61 |
Unit cell lengths | 143.500, 143.500, 69.690 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.610 - 1.860 |
R-factor | 0.18222 |
Rwork | 0.180 |
R-free | 0.22175 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.009 |
RMSD bond angle | 1.288 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.820 | 1.960 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.131 | 0.639 |
Number of reflections | 68190 | |
<I/σ(I)> | 14.2 | 2.9 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 8 | 5.2 |
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, 0.30 M ammonium sulfate , VAPOR DIFFUSION, SITTING DROP, temperature 295K |