5USY
JAK2 JH1 in complex with JNJ-7706621
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-31 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.017, 68.965, 100.567 |
| Unit cell angles | 90.00, 127.16, 90.00 |
Refinement procedure
| Resolution | 37.619 - 2.000 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.271 |
| 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] | 37.619 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 50325 | |
| <I/σ(I)> | 9.6 | 2.52 |
| Completeness [%] | 99.3 | 96.4 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1M Sodium citrate, pH 5.6 0.2 M Ammonium sulfate 30% PEG 4,000 |
