3GZ3
Leishmania major Dihydroorotate Dehydrogenase in complex with orotate
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 | 2006-01-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.43800 |
| Spacegroup name | P 61 |
| Unit cell lengths | 142.167, 142.167, 69.157 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.17813 |
| Rwork | 0.177 |
| R-free | 0.20419 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gye |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.182 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | 0.537 |
| Number of reflections | 62830 | |
| <I/σ(I)> | 9.3 | 3.4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 1.2M lithium sulfate, 0.3M ammonium sulfate in 0.1 M sodium citrate tribasic dihydrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
