3DL6
Crystal Structure of the A287F/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 | 2007-02-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.906, 116.921, 220.948 |
| Unit cell angles | 90.00, 95.94, 90.00 |
Refinement procedure
| Resolution | 3.450 - 3.250 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 3.450 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.106 | 0.484 |
| Number of reflections | 83352 | |
| <I/σ(I)> | 8.8 | 1.9 |
| Completeness [%] | 98.2 | 84.8 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1mM ammonium sulfate, 0.2mM, lithium sulfate, 0.1mM Tris, 12% PEG-6000, flash frozen in 25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
