6OYT
ASK1 kinase domain in complex with GS-4997
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.510, 73.590, 95.140 |
Unit cell angles | 90.00, 97.77, 90.00 |
Refinement procedure
Resolution | 47.133 - 2.824 |
R-factor | 0.2349 |
Rwork | 0.232 |
R-free | 0.28960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bf2 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.104 | 0.780 |
Number of reflections | 51795 | 7763 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 92.8 | 86 |
Redundancy | 1.8 | |
CC(1/2) | 0.996 | 0.572 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M Na Acetate pH 5.5, 2% PEG4K and 30% polyacrylic acid. |