3R33
Evidence for dynamic motion in proteins as a mechanism for ligand dissociation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-11 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.130, 45.110, 97.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.320 - 2.090 |
| R-factor | 0.1845 |
| Rwork | 0.181 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 15.320 | 15.000 | 2.200 |
| High resolution limit [Å] | 2.090 | 6.600 | 2.090 |
| Rmerge | 0.022 | 0.055 | |
| Number of reflections | 9261 | ||
| Completeness [%] | 98.3 | 91.8 | 98.9 |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20 mg/mL DHFR, 20 mM imidazole, 300 mM CaCl2, 30% PEG-6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
