6BG5
Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.944, 96.763, 59.279 |
Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.140 |
High resolution limit [Å] | 1.100 | 2.740 | 1.110 |
Rmerge | 0.038 | 0.032 | 0.291 |
Rmeas | 0.045 | 0.038 | 0.348 |
Rpim | 0.024 | 0.020 | 0.189 |
Number of reflections | 141508 | 9889 | 8923 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 94.9 | 98.2 | 89.6 |
Redundancy | 3.4 | 3.5 | 3.2 |
CC(1/2) | 0.994 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277 | 6% PEG3350, 0.2M NH4Br |