3F8Z
Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.416, 84.416, 77.934 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.660 - 2.010 |
| R-factor | 0.16351 |
| Rwork | 0.161 |
| R-free | 0.21877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u72 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.969 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.250 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.071 | 0.297 |
| Number of reflections | 17593 | |
| <I/σ(I)> | 16.3 | 1.3 |
| Completeness [%] | 74.8 | 17 |
| Redundancy | 3.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 287 | 100 mM potassium phosphate, pH 6.9, 60% ammonium sulfate, 3% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
