7NRB
Re-refinement of MK3-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9769 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.688, 74.832, 60.664 |
| Unit cell angles | 90.00, 107.34, 90.00 |
Refinement procedure
| Resolution | 27.780 - 1.900 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fhr |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.654 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | ISOLDE (1.1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.430 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.451 |
| Number of reflections | 27952 | 2500 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 10%-15% PEG 3350, 100mM BisTris propane/citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
