2QQ7
Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.220, 63.360, 75.060 |
| Unit cell angles | 78.58, 89.08, 89.87 |
Refinement procedure
| Resolution | 73.520 - 2.380 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.26600 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.841 |
| 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] | 73.565 | 43.410 | 2.510 |
| High resolution limit [Å] | 2.380 | 7.530 | 2.380 |
| Rmerge | 0.069 | 0.053 | 0.126 |
| Total number of observations | 1902 | 8141 | |
| Number of reflections | 29936 | ||
| <I/σ(I)> | 5.9 | 9 | 4.6 |
| Completeness [%] | 98.0 | 92.6 | 96.9 |
| Redundancy | 2.1 | 2.1 | 1.9 |
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 |
