6A7E
Human dihydrofolate reductase complexed with NADPH and BT2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.755, 84.755, 77.726 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.410 - 1.850 |
| R-factor | 0.1919 |
| Rwork | 0.190 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ddr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.047 | 0.029 | 0.258 |
| Number of reflections | 17677 | 1689 | 1792 |
| <I/σ(I)> | 20.2 | ||
| Completeness [%] | 99.3 | 95 | 99.7 |
| Redundancy | 2.5 | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 2.78 M AMMONIUM SULPHATE, 100 mM K2HPO4, 3%(V/V) ETHANOL |
