8PT0
ERK2 covelently bound to RU75 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) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.490, 77.050, 123.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.520 - 1.650 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.520 | 7.380 | 1.690 |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.093 | 0.056 | 1.357 |
Rmeas | 0.097 | 0.058 | 1.415 |
Number of reflections | 48499 | 1053 | 3515 |
<I/σ(I)> | 13.99 | ||
Completeness [%] | 100.0 | ||
Redundancy | 12.5 | ||
CC(1/2) | 0.999 | 0.998 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG3350, 0.1 M Tris pH 8.5. |