8ELC
Human JNK2 bound to covalent inhibitor YL2056
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.235, 65.761, 94.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.060 - 2.072 |
R-factor | 0.2103 |
Rwork | 0.208 |
R-free | 0.26030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3npc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.060 | 2.146 |
High resolution limit [Å] | 2.072 | 2.072 |
Number of reflections | 24374 | 23920 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.5 | 97.58 |
Redundancy | 2.2 | |
CC(1/2) | 0.520 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350 |