2ANO
Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.130, 44.140, 97.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.680 |
| R-factor | 0.2385 |
| Rwork | 0.237 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.230 | 2.780 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.062 | 0.204 |
| Number of reflections | 4392 | |
| <I/σ(I)> | 13.1 | 4 |
| Completeness [%] | 97.8 | 100 |
| Redundancy | 2.66 | 2.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | PEG 6000, imidazole, calcium chloride, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
