4ECK
Crystal Structure of the Toxoplasma gondii TS-DHFR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9594 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 185.944, 143.015, 59.840 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 46.180 - 3.516 |
| R-factor | 0.33492 |
| Rwork | 0.332 |
| R-free | 0.39529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QZF and 3NZA |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.554 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.560 |
| High resolution limit [Å] | 3.500 | 9.480 | 3.500 |
| Rmerge | 0.301 | 0.069 | |
| Number of reflections | 19084 | ||
| <I/σ(I)> | 3.8 | ||
| Completeness [%] | 93.9 | 98.9 | 88.3 |
| Redundancy | 6.8 | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.3 | 290 | PEG 3350, Potassium formate, pH 7.3, hanging drop, temperature 290K |
