4EI4
JAK1 kinase (JH1 domain) in complex with compound 20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.755, 173.322, 44.595 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.220 |
| R-factor | 0.20217 |
| Rwork | 0.200 |
| R-free | 0.23941 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.135 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Number of reflections | 32187 | |
| <I/σ(I)> | 15 | 2.7 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 300 | PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
