5P9L
BTK1 IN COMPLEX WITH CC 292
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 | 2014-03-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.022, 104.681, 38.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.310 - 1.250 |
R-factor | 0.2657 |
Rwork | 0.265 |
R-free | 0.28030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.865 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.341 | 42.341 | 1.330 |
High resolution limit [Å] | 1.250 | 3.740 | 1.250 |
Rmerge | 0.077 | 0.045 | 0.519 |
Rmeas | 0.085 | 0.050 | 0.576 |
Total number of observations | 470219 | ||
Number of reflections | 77508 | 3265 | 10755 |
<I/σ(I)> | 11.8 | 32.7 | 2.65 |
Completeness [%] | 95.8 | 99.4 | 83.2 |
CC(1/2) | 0.997 | 0.997 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | PEG 3350, sodium actate, BisTrisPropane |