7R60
BTK in complex with 18A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03300 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.409, 107.908, 39.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.680 - 1.940 |
| R-factor | 0.2185 |
| Rwork | 0.216 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k2p |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.511 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.085 | 0.591 |
| Number of reflections | 23933 | 3747 |
| <I/σ(I)> | 19.22 | 3.33 |
| Completeness [%] | 98.6 | 97.2 |
| Redundancy | 6.55 | 6.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 20% PEG 3350, 0.1 M Bis Tris Propane pH 7.5, 0.2 M Sodium acetate trihydrate |
