5TTU
Jak3 with covalent inhibitor 7
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 | 2012-03-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.200, 75.750, 90.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.420 - 1.720 |
| R-factor | 0.1928 |
| Rwork | 0.192 |
| R-free | 0.21160 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.106 | 90.106 | 1.820 |
| High resolution limit [Å] | 1.720 | 5.450 | 1.720 |
| Rmerge | 0.019 | 0.315 | |
| Number of reflections | 34605 | ||
| <I/σ(I)> | 28.8 | 23.7 | 2.4 |
| Completeness [%] | 99.1 | 99.5 | 94.6 |
| Redundancy | 6.1 | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea |
