4FGH
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.921, 78.921, 106.178 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.348 - 2.500 |
| R-factor | 0.1972 |
| Rwork | 0.192 |
| R-free | 0.24630 |
| Structure solution method | PDB entry 3M08 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.184 |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 70.000 |
| High resolution limit [Å] | 2.500 |
| Number of reflections | 7223 |
| <I/σ(I)> | 19.6 |
| Completeness [%] | 100.0 |
| Redundancy | 36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 15-20% PEG 6000, 0.15M NaOAc, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
