7L9X
Structure of VPS4B in complex with an allele-specific covalent inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-01 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | P 65 |
Unit cell lengths | 77.876, 77.876, 132.826 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.240 - 2.810 |
R-factor | 0.2149 |
Rwork | 0.209 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xwi |
RMSD bond length | 0.004 |
RMSD bond angle | 0.717 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.240 | 2.870 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.022 | 0.355 |
Number of reflections | 11046 | 1047 |
<I/σ(I)> | 14.62 | |
Completeness [%] | 98.7 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 100 mM NH4SO4, 100 mM Hepes pH 7.5, 10% PEG 4000 |