6DBN
Jak1 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 | 2014-06-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 45.510, 88.422, 145.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.810 - 2.480 |
| R-factor | 0.19 |
| Rwork | 0.186 |
| R-free | 0.26190 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data scaling software | Aimless (0.3.5) |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.960 | 3.040 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.081 | 0.368 |
| Rmeas | 0.090 | 0.408 |
| Rpim | 0.037 | 0.172 |
| Total number of observations | 57973 | |
| Number of reflections | 10653 | 4672 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 98.4 | 96.7 |
| Redundancy | 5.4 | 5 |
| CC(1/2) | 0.998 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris pH 8.5, 6-9% MPD, 24-29% PEG-1500 |
