5AJQ
Human LOK (STK10) in complex with Bosutinib
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 | 2013-10-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 41.190, 108.100, 144.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.510 - 2.200 |
| R-factor | 0.2189 |
| Rwork | 0.217 |
| R-free | 0.25723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.421 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.510 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.620 |
| Number of reflections | 33518 | |
| <I/σ(I)> | 12 | 1.9 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.1 | 0.1M TRIS PH 8.1, 0.1M MAGNESIUM CHLORIDE, 30%(W/V) PEG 10000 |
