3IRN
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-16 |
| Detector | Kappa CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.345, 165.593, 84.848 |
| Unit cell angles | 90.00, 113.36, 90.00 |
Refinement procedure
| Resolution | 44.480 - 2.600 |
| Rwork | 0.230 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | The partial structure of 3IRM |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.480 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 59498 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 94.1 | 82.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.6 | 297 | PEG4000, NH4OAc, pH 5.6, microbatch, temperature 297K |
