6T2K
Furano[2,3-d]prymidine amides as Notum inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9726 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.620, 72.130, 78.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.388 - 1.380 |
R-factor | 0.1889 |
Rwork | 0.188 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r8p |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_3488) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.390 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.079 | |
Number of reflections | 69891 | 3429 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 100.0 | |
Redundancy | 12.6 | |
CC(1/2) | 0.500 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 300 | 1.5M Ammonium sulfate 0.1 M Sodium citrate pH4.2 |