5P9I
BTK1 SOAKED WITH IBRUTINIB-Rev
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.611, 104.579, 38.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.230 - 1.110 |
| R-factor | 0.1964 |
| Rwork | 0.196 |
| R-free | 0.21110 |
| Structure solution method | OTHER |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.180 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.079 | 1.810 |
| Number of reflections | 112485 | |
| <I/σ(I)> | 12.54 | 0.91 |
| Completeness [%] | 98.6 | 93.6 |
| Redundancy | 6.22 | 5.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | PEG 3350, sodium actate, BisTrisPropane |
