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 |
