6YV2
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
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 | 59.300, 73.020, 79.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.510 - 2.100 |
R-factor | 0.2134 |
Rwork | 0.213 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uz1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.646 |
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] | 79.510 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmeas | 0.127 | 0.352 |
Number of reflections | 28311 | 1381 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 99.9 | 98.4 |
Redundancy | 11.9 | 6.8 |
CC(1/2) | 1.000 | 1.000 |
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 |