2OIP
Crystal Structure of the S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis
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 | 2005-09-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.026, 116.204, 216.601 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLOMON |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.117 | 0.538 |
| Number of reflections | 130177 | |
| <I/σ(I)> | 13.4 | 2.9 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1mM ammonium sulfate, 0.3M lithium sulfate, 0.1M Tris, 10% PEG 6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
