3F8Y
Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2008-02-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.294, 84.294, 78.117 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.670 - 1.450 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u72 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.802 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.300 | 1.530 |
| High resolution limit [Å] | 1.200 | 1.450 |
| Rmerge | 0.039 | 0.168 |
| Number of reflections | 50420 | |
| <I/σ(I)> | 16.7 | 0.9 |
| Completeness [%] | 79.4 | 98.9 |
| Redundancy | 3 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 287 | 100 mM potassium phosphate, pH 6.9, 30% ammonium sulfate, 3% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
