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 |