3QYL
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-08 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.865, 44.820, 97.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.020 - 1.790 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.020 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.123 | |
| Number of reflections | 14401 | |
| Completeness [%] | 98.3 | 89.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 298 | 20 mg/mL DHFR, 20 mM imidazole, 325 mM CaCl2, 34% PEG-6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
