4GMY
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Experimental procedure
| Experimental method | SINGLE |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.532, 69.361, 50.468 |
| Unit cell angles | 90.00, 98.96, 90.00 |
Refinement procedure
| Resolution | 39.552 - 2.403 |
| R-factor | 0.1673 |
| Rwork | 0.164 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.180 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.121 | 0.060 | 0.356 |
| Number of reflections | 14111 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 98.0 | 99.4 | 87.3 |
| Redundancy | 3.4 | 3.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 0.1 M Na Citrate pH 6, 0.2 M NH4OAc, PEG 8K, vapor diffusion, hanging drop, temperature 300K |
