7FGW
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.282, 101.121, 107.208 |
| Unit cell angles | 85.45, 83.70, 84.25 |
Refinement procedure
| Resolution | 29.290 - 2.150 |
| R-factor | 0.1624 |
| Rwork | 0.160 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eil |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.998 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.031 | 0.243 |
| Number of reflections | 152902 | 14023 |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 96.3 | 88.3 |
| Redundancy | 2.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 0.2 M Lithium nitrate, 14% (w/v) PEG4000, 0.1 M Bis-Tris propane pH 7.5 and 1% (w/v) benzamidine hydrochloride |
