3FY8
Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-02 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 79.567, 79.567, 108.958 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.25534 |
| Rwork | 0.251 |
| R-free | 0.33540 |
| Structure solution method | MIR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.593 |
| Data reduction software | XFIT |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.167 |
| Number of reflections | 10269 |
| Completeness [%] | 93.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG3350, 200mM NaCl, 100mM bis-Tris, pH5.5 |
