6WTQ
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 79.362, 79.362, 84.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.036 - 1.800 |
R-factor | 0.192564379918 |
Rwork | 0.191 |
R-free | 0.21273 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5usy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.836 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.040 | 36.040 | 1.850 |
High resolution limit [Å] | 1.799 | 8.050 | 1.799 |
Rmerge | 0.077 | 0.053 | 1.002 |
Rmeas | 0.083 | 0.058 | 1.083 |
Rpim | 0.031 | 0.022 | 0.407 |
Number of reflections | 29041 | 375 | 2114 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 6.9 | 6.1 | 7 |
CC(1/2) | 0.998 | 0.997 | 0.738 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.1 M SODIUM CITRATE PH 6.5, 27% PEG 8000 AND 0.2 M AMMONIUM ACETATE. REMARK 280 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |