4I5C
The Jak1 kinase domain in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-09 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.700, 173.969, 44.675 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 20.350 - 2.100 |
| R-factor | 0.1926 |
| Rwork | 0.190 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ehz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.250 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.594 |
| Number of reflections | 37790 | |
| <I/σ(I)> | 16.1 | 2.4 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 3.9 | 3.8 |
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, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
