6TT2
The PH domain of Bruton's tyrosine kinase mutant R28C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.247, 60.374, 56.394 |
| Unit cell angles | 90.00, 98.12, 90.00 |
Refinement procedure
| Resolution | 55.830 - 1.360 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1btk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.370 | 60.370 | 1.400 |
| High resolution limit [Å] | 1.360 | 6.080 | 1.360 |
| Rmerge | 0.043 | 0.042 | 1.054 |
| Rmeas | 0.051 | 0.051 | 1.286 |
| Rpim | 0.028 | 0.029 | 0.726 |
| Total number of observations | 222202 | 2652 | 14614 |
| Number of reflections | 68240 | 834 | 4897 |
| <I/σ(I)> | 10 | 29.9 | 1.1 |
| Completeness [%] | 97.3 | 99.9 | 94.9 |
| Redundancy | 3.3 | 3.2 | 3 |
| CC(1/2) | 0.998 | 0.989 | 0.603 |
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, 500mM NaCl |
