6D2I
JAK2 Pseudokinase V617F in complex with AT9283
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.905, 91.131, 113.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.264 - 3.192 |
R-factor | 0.2718 |
Rwork | 0.271 |
R-free | 0.28960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l00 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.506 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.350 | 3.410 |
High resolution limit [Å] | 3.190 | 3.190 |
Rmerge | 0.138 | 0.712 |
Rmeas | 0.167 | 0.860 |
Rpim | 0.092 | 0.473 |
Number of reflections | 11293 | 1904 |
<I/σ(I)> | 8.9 | 2.1 |
Completeness [%] | 98.2 | 93.7 |
Redundancy | 5.6 | 5.6 |
CC(1/2) | 0.995 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris pH 8, 0.1M MgAcetate and 24% w/v PEG4000 |