2QLQ
Crystal structure of SRC kinase domain with covalent inhibitor RL3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-13 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.940, 63.530, 74.500 |
| Unit cell angles | 78.28, 90.37, 89.45 |
Refinement procedure
| Resolution | 72.930 - 2.330 |
| R-factor | 0.21508 |
| Rwork | 0.212 |
| R-free | 0.26673 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.770 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.944 | 52.940 | 2.460 |
| High resolution limit [Å] | 2.330 | 7.370 | 2.330 |
| Rmerge | 0.060 | 0.022 | 0.407 |
| Number of reflections | 29166 | ||
| <I/σ(I)> | 11.6 | 21.2 | 1.8 |
| Completeness [%] | 90.7 | 93.8 | 85.9 |
| Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 16% Ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
