6YVS
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
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 | 2016-12-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99998 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.174, 76.082, 172.851 |
Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
Resolution | 84.370 - 1.810 |
R-factor | 0.1927 |
Rwork | 0.192 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gu6 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.850 |
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] | 84.370 | 2.035 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmeas | 0.065 | 0.737 |
Rpim | 0.035 | 0.392 |
Number of reflections | 81043 | 4051 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 92.0 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 15% PEG 3350 |