6YV0
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587
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 | 59.440, 73.220, 78.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.610 - 2.000 |
R-factor | 0.2126 |
Rwork | 0.211 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uz1 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.712 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3699) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.500 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmeas | 0.115 | 0.860 |
Number of reflections | 47934 | 2407 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 99.9 | |
Redundancy | 6.5 | |
CC(1/2) | 1.000 | 0.900 |
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 |