2ANQ
Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.000, 44.720, 98.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.130 |
| R-factor | 0.2348 |
| Rwork | 0.233 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| 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] | 40.680 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.071 | 0.343 |
| Number of reflections | 12305 | |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 98.1 | 98.9 |
| Redundancy | 2.66 | 2.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297.15 | PEG 6000, imidazole, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297.15K |
