2FZI
New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 0.906 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.970, 42.625, 60.397 |
| Unit cell angles | 90.00, 95.02, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.274 |
| Rwork | 0.274 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cd2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.130 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.039 | |
| Number of reflections | 20156 | |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 96.5 | 93.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 33% PEG 2K, 46 mM MES, 100 mM KCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
