2O2S
The structure of T. gondii enoyl acyl carrier protein reductase in complex with NAD and triclosan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-01 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 78.075, 78.075, 187.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.26692 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o2y |
RMSD bond length | 0.013 |
RMSD bond angle | 1.621 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.082 | 0.480 |
Number of reflections | 21105 | |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 5.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 290 | 0.1M Tris-HCL, 6% PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |