2QK8
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.697, 41.236, 67.032 |
| Unit cell angles | 90.00, 119.20, 90.00 |
Refinement procedure
| Resolution | 22.000 - 2.400 |
| R-factor | 0.24422 |
| Rwork | 0.243 |
| R-free | 0.27382 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1ZDR (Bacillus stearothermophilus DHFR) |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.895 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0007) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.400 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 10104 | |
| <I/σ(I)> | 13.7 | 2.8 |
| Completeness [%] | 92.3 | 76.8 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 0.2 M CaCl2, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
