4E4L
JAK1 kinase (JH1 domain) in complex with compound 30
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] | 100 |
| 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 | 42.837, 171.759, 87.821 |
| Unit cell angles | 90.00, 92.15, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.19138 |
| Rwork | 0.190 |
| R-free | 0.22814 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.252 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 80512 | |
| <I/σ(I)> | 15 | 2.6 |
| Completeness [%] | 94.8 | 90.3 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 300 | MES pH 5.5 30% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
