6YUW
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454
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 | 2018-09-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.397, 73.263, 78.398 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.340 - 1.940 |
| R-factor | 0.1942 |
| Rwork | 0.193 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uz1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.996 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3699) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.400 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmeas | 0.097 | 1.510 |
| Number of reflections | 39732 | 1935 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.2 | 12.8 |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 1.4 M AMMONIUM SULPHATE, 0.1 M CITRIC ACID, PH 4.0 |
