8S85
Crystal structure of JAK1 JH1 domain in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.038, 174.030, 44.893 |
| Unit cell angles | 90.00, 94.50, 90.00 |
Refinement procedure
| Resolution | 87.010 - 1.750 |
| R-factor | 0.20988 |
| Rwork | 0.208 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.330 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.010 | 1.820 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.059 | 0.657 |
| Number of reflections | 60553 | 6840 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 96.2 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M MES pH 5-6 and 25-35% PEG 6000 |
