6S90
BTK in complex with an 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 | 2013-10-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.999900 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.830, 39.360, 105.190 |
| Unit cell angles | 90.00, 111.18, 90.00 |
Refinement procedure
| Resolution | 49.040 - 1.820 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.960 | 1.828 |
| High resolution limit [Å] | 1.820 | 1.822 |
| Rmerge | 0.044 | |
| Rpim | 0.027 | |
| Number of reflections | 46201 | 496 |
| <I/σ(I)> | 15.3 | |
| Completeness [%] | 98.4 | 68.3 |
| Redundancy | 3.6 | |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM Tris-HCL pH 8.5, 200 mM sodium formate, 50 mM CaCl2, 25% (w/v) PEGMME 5000 |
