3QFX
Trypanosoma brucei dihydrofolate reductase pyrimethamine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-23 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 |
| Unit cell lengths | 58.239, 58.239, 149.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.900 - 2.200 |
| Rwork | 0.187 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Leishmania major DHFR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.073 | 0.045 | 0.386 |
| Number of reflections | 25182 | ||
| <I/σ(I)> | 16.6 | ||
| Completeness [%] | 100.0 | 99.8 | 99.8 |
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 |
