7JTO
Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97928 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.380, 187.830, 49.150 |
Unit cell angles | 90.00, 116.96, 90.00 |
Refinement procedure
Resolution | 46.958 - 1.700 |
R-factor | 0.2009 |
Rwork | 0.200 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 2GNQ & 1VCB |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.915 | 93.915 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.035 | 0.405 | |
Rmeas | 0.091 | 0.041 | 0.482 |
Rpim | 0.047 | 0.021 | 0.258 |
Total number of observations | 296910 | 10082 | 40641 |
Number of reflections | 83626 | 2698 | 12172 |
<I/σ(I)> | 7.3 | 18.6 | 2.7 |
Completeness [%] | 99.9 | 100 | 100 |
Redundancy | 3.6 | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M HEPES sodium, pH 7.5-8.0, 1.3-1.6 M sodium thiocyanate, 15-20% PEG3350 |