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 |
