3RG9
Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-01 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 |
| Unit cell lengths | 58.409, 58.409, 151.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.210 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | L. major DHFR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 33637 | |
| Completeness [%] | 90.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 297 | 0.05M ammonium sulphate, 0.05M Bis-Tris, 32% (w/v) PEG 4000, pH 6.5, microbatch, temperature 297K |
