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 |