3HJ3
Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant
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 | 2008-04-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 121.860, 121.860, 342.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.081 | 0.491 |
| Number of reflections | 77069 | |
| <I/σ(I)> | 13.8 | 3.6 |
| Completeness [%] | 95.0 | 95 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 289 | 0.04M ammonium sulfate, 0.12M lithium sulfate, 0.1M Tris, 16% PEG 6000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
