5P9M
BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
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 | 2014-02-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 70.958, 104.377, 38.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.040 - 1.410 |
R-factor | 0.1798 |
Rwork | 0.179 |
R-free | 0.20050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.896 |
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] | 42.042 | 42.042 | 1.490 |
High resolution limit [Å] | 1.410 | 4.200 | 1.410 |
Rmerge | 0.087 | 0.032 | 0.908 |
Rmeas | 0.095 | 0.036 | 0.987 |
Total number of observations | 356514 | ||
Number of reflections | 55431 | 2274 | 8596 |
<I/σ(I)> | 12.93 | 44.41 | 1.78 |
Completeness [%] | 99.5 | 99.6 | 96.9 |
CC(1/2) | 0.999 | 0.999 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | PEG 3350, sodium actate, BisTrisPropane |