6WTP
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
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 | 80.517, 80.517, 85.165 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.390 - 2.500 |
R-factor | 0.2402 |
Rwork | 0.238 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5usy |
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] | 36.390 | 36.390 | 2.570 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.110 | 0.093 | 1.016 |
Rmeas | 0.121 | 0.111 | 1.100 |
Rpim | 0.048 | 0.056 | 0.418 |
Total number of observations | 853 | 5473 | |
Number of reflections | 11406 | 156 | 813 |
<I/σ(I)> | 8.7 | 18.2 | 1.8 |
Completeness [%] | 99.8 | 98.2 | 99.8 |
Redundancy | 6.5 | 5.5 | 6.7 |
CC(1/2) | 0.941 | 0.715 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.1 M SODIUM CITRATE PH 6.0, 27% PEG 8000 AND 0.2 M AMMONIUM ACETATE. REMARK 280 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |