6DRW
JAK2 JH1 in complex with JNJ-7706621 (Crystal Form 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-19 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.867, 69.042, 50.050 |
| Unit cell angles | 90.00, 99.07, 90.00 |
Refinement procedure
| Resolution | 36.104 - 2.303 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7a |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.104 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.310 | |
| Number of reflections | 15437 | 1460 |
| <I/σ(I)> | 8.1 | 1.96 |
| Completeness [%] | 95.9 | 91.4 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1M Glycyl-glycine pH 8.0 2.5 M Sodium Malonate pH 6.0 |
