3GHW
Human dihydrofolate reductase inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-12-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.650, 84.650, 78.058 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.170 - 1.240 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u72 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.659 |
| 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] | 42.330 | 1.090 |
| High resolution limit [Å] | 1.030 | 1.030 |
| Rmerge | 0.114 | 0.042 |
| Number of reflections | 59523 | |
| <I/σ(I)> | 0.32 | |
| Completeness [%] | 82.7 | |
| Redundancy | 9.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | 298 | 100 mM KPO4, pH 6.9, 30% AmSO4, 3& v/v ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
