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 |