6TUH
The PH domain of Bruton's tyrosine kinase mutant R28C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9687 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.759, 66.606, 80.267 |
Unit cell angles | 90.00, 100.06, 90.00 |
Refinement procedure
Resolution | 66.720 - 2.250 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1btk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.720 | 66.720 | 2.380 |
High resolution limit [Å] | 2.250 | 7.130 | 2.250 |
Rmerge | 0.121 | 0.108 | 0.790 |
Rmeas | 0.139 | 0.124 | 0.902 |
Rpim | 0.067 | 0.061 | 0.430 |
Total number of observations | 136122 | 4195 | 20261 |
Number of reflections | 32838 | 1097 | 4756 |
<I/σ(I)> | 7 | 11.7 | 2.3 |
Completeness [%] | 98.4 | 98 | 97.8 |
Redundancy | 4.1 | 3.8 | 4.3 |
CC(1/2) | 0.987 | 0.981 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M TRIS 8.5 pH, 32.5% w/v PEG 3350, 200mM MgCl2 |