3FL9
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-23 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 67.930, 67.610, 167.000 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 29.948 - 2.400 |
| R-factor | 0.24 |
| Rwork | 0.237 |
| R-free | 0.30900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qk8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.836 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 53699 | |
| <I/σ(I)> | 13.1 | 4.9 |
| Completeness [%] | 90.1 | 72.5 |
| Redundancy | 4.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 13 % PEG 3350, 0.2M CaCl2, 0.1M MES, 1% ethanol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
