3DL5
Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.807, 116.542, 219.212 |
| Unit cell angles | 90.00, 95.21, 90.00 |
Refinement procedure
| Resolution | 45.400 - 2.740 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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] | 45.400 | 2.910 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.123 | 0.682 |
| Number of reflections | 141384 | |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.6 | 3.6 |
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 |
