8EX1
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.082, 57.717, 60.758 |
Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
Resolution | 26.810 - 1.500 |
R-factor | 0.1694 |
Rwork | 0.169 |
R-free | 0.19050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.022 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.055 | 0.433 |
Number of reflections | 50245 | 2472 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 99.7 | 99.1 |
Redundancy | 4.9 | 4.6 |
CC(1/2) | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | HEPES, PEG 3350 |