8PSW
ERK2 covalently bound to RU67 cyclohexenone based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.470, 77.390, 127.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.140 - 2.000 |
R-factor | 0.1905 |
Rwork | 0.189 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.140 | 8.940 | 2.050 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.149 | 0.073 | 1.608 |
Rmeas | 0.155 | 0.077 | 1.684 |
Number of reflections | 28485 | 634 | 2058 |
<I/σ(I)> | 10.49 | ||
Completeness [%] | 100.0 | ||
Redundancy | 11.8 | ||
CC(1/2) | 0.998 | 0.997 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30% PEG1000, 0.1M HEPES pH 7.5 |