5HEZ
JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2014-10-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 211.813, 215.649, 91.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.810 - 2.660 |
| R-factor | 0.2179 |
| Rwork | 0.217 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ji9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.755 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.959 | |
| Number of reflections | 60222 | |
| <I/σ(I)> | 7.9 | 1.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.9 M sodium malonate, 10 mM ZnCl2 |
