3GHV
Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-06-13 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9422 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.210, 84.210, 78.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.300 - 1.300 |
| R-factor | 0.16024 |
| Rwork | 0.159 |
| R-free | 0.18293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u70 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.562 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.300 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.055 | 0.109 |
| Number of reflections | 48184 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | 100 mM KPo4, pH 6.9, 30% AmSO4, 3% v/v ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
