7FIC
Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-03-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11685 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 87.950, 87.950, 76.824 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 76.170 - 2.320 |
R-factor | 0.2375 |
Rwork | 0.236 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ceg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.305 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.210 | 2.403 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.049 | 2.109 |
Rmeas | 0.050 | 2.163 |
Rpim | 0.011 | |
Number of reflections | 15223 | 1516 |
<I/σ(I)> | 25.5 | |
Completeness [%] | 99.9 | |
Redundancy | 19.5 | |
CC(1/2) | 1.000 | 0.642 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M lithium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v PEG 3350 |