6YR9
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
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 | 2016-10-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99993 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.222, 74.538, 172.546 |
Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
Resolution | 84.030 - 1.925 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gu6 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7 (19-MAR-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.030 | 2.168 |
High resolution limit [Å] | 1.925 | 1.925 |
Rmeas | 0.063 | 0.771 |
Rpim | 0.045 | |
Number of reflections | 48069 | 2402 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 88.0 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 15% PEG 3350, 0.2 M Na acetate |