6EBS
Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-08 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.541780 |
Spacegroup name | P 61 |
Unit cell lengths | 144.279, 144.279, 69.913 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.580 - 2.050 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gye |
RMSD bond length | 0.005 |
RMSD bond angle | 1.051 |
Data scaling software | Aimless (0.5.1) |
Phasing software | MOLREP (11.5.05) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.580 | 46.580 | 2.110 |
High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
Rmerge | 0.136 | 0.048 | 0.430 |
Number of reflections | 52098 | 669 | 3935 |
<I/σ(I)> | 14.2 | ||
Completeness [%] | 99.8 | 99.1 | 97.6 |
Redundancy | 7.6 | 8 | 3.3 |
CC(1/2) | 0.996 | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.1M sodium citrate tribasic dihydrate pH 5.9, 1.1M lithium sulfate, 0.3M ammonium sulfate |