5UT3
JAK2 JH2 in complex with IKK-2 Inhibitor VI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.374, 57.641, 60.496 |
| Unit cell angles | 90.00, 109.94, 90.00 |
Refinement procedure
| Resolution | 40.949 - 1.501 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.16980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fvp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.949 | |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 12.700 | |
| Number of reflections | 45642 | |
| <I/σ(I)> | 27 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.2 |
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 |
