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 |
