8P0F

Crystal structure of the VCB complex with compound 1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	47.387, 47.720, 98.756
Unit cell angles	81.70, 76.66, 82.80

Refinement procedure

Resolution	35.680 - 1.980
R-factor	0.2302
Rwork	0.229
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.400	2.250
High resolution limit [Å]	1.980	1.980
Number of reflections	33557	1679
<I/σ(I)>	8.9
Completeness [%]	87.3
Redundancy	3.4
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	30 % PEG