5UT2
JAK2 JH2 in complex with PRT062607
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.243, 57.241, 61.184 |
Unit cell angles | 90.00, 110.63, 90.00 |
Refinement procedure
Resolution | 57.260 - 1.750 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvp |
RMSD bond length | 0.009 |
RMSD bond angle | 0.973 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.260 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.770 | |
Number of reflections | 28976 | |
<I/σ(I)> | 16.3 | 1.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000 |