3LOK
Drug resistant cSrc kinase domain in complex with covalent inhibitor PD168393
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-23 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54170 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.090, 63.260, 74.220 |
| Unit cell angles | 78.49, 88.33, 90.00 |
Refinement procedure
| Resolution | 52.630 - 2.480 |
| R-factor | 0.225 |
| Rwork | 0.221 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hwp |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.932 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.630 | 2.610 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.095 | 0.425 |
| Total number of observations | 7576 | |
| Number of reflections | 24859 | |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 93.6 | 91.9 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 18% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
