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