2B7A
The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 |
| Unit cell lengths | 111.273, 111.273, 70.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.000 |
| R-factor | 0.2108 |
| Rwork | 0.209 |
| R-free | 0.24927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m14 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.020 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.550 |
| Number of reflections | 53644 | |
| <I/σ(I)> | 15.95 | 2.12 |
| Completeness [%] | 96.8 | 97.1 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 28% PEG 8000, 0.2M ammonium acetate, 0.1M citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
