2W9H
Wild-type Staphylococcus aureus DHFR in complex with 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 | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.997, 37.032, 48.991 |
| Unit cell angles | 90.00, 105.55, 90.00 |
Refinement procedure
| Resolution | 47.190 - 1.480 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.073 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.040 | 0.080 |
| Number of reflections | 23540 | |
| <I/σ(I)> | 33 | 18 |
| Completeness [%] | 95.1 | 98.7 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 30 MM CITRIC ACID / 40 MM BIS-TRIS PROPANE PH 6.4; 13.3% PEG3350; 16.7% PEG6000 |
