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 |