6DBM
Tyk2 with compound 23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.238, 73.317, 101.224 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.612 - 2.368 |
R-factor | 0.2042 |
Rwork | 0.201 |
R-free | 0.26430 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.641 |
Data scaling software | SCALA (3.3.16) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 101.224 | 101.224 | 2.500 |
High resolution limit [Å] | 2.368 | 7.490 | 2.368 |
Rmerge | 0.034 | 0.321 | |
Rmeas | 0.126 | 0.040 | 0.413 |
Rpim | 0.054 | 0.017 | 0.197 |
Total number of observations | 54511 | 2331 | 4806 |
Number of reflections | 10734 | 435 | 1251 |
<I/σ(I)> | 14.4 | 40.4 | 3.2 |
Completeness [%] | 92.9 | 99.5 | 76.9 |
Redundancy | 5.1 | 5.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M bis-tris pH 5.5, 0.25 M NaCl, 10 mM TCEP, 27-33% PEG-3350 |