2W9G
Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2007-06-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 79.287, 79.287, 106.254 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.680 - 1.950 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.984 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 54341 | |
| <I/σ(I)> | 33 | 5.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | BUFFER: 30 MM CITRIC ACID / 40 MM BIS-TRIS PROPANE PH6.4, 13.3% PEG3350, 16.7% PEG6000 |
