2H2Q
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9998 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 88.681, 137.250, 189.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.150 - 2.400 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j3i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.061 | 0.240 |
| Number of reflections | 45818 | |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 99.5 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 17% 2-Methyl-2,4-Pentanediol, 10% PEG 4000, 0.1M Potassium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
