6VNI
JAK2 JH1 in complex with PN3-115
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 41 |
| Unit cell lengths | 112.618, 112.618, 70.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.066 - 2.100 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2XA4 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14-3260_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmeas | 0.158 | |
| Number of reflections | 100233 | 5159 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 6.3 | |
| CC(1/2) | 1.000 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350 |
