6OCH

Crystal structure of VASH1-SVBP complex bound with parthenolide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	70.132, 90.162, 127.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.121 - 2.003
R-factor	0.1817
Rwork	0.180
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ocf
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.150	0.060	2.046
Rmeas	0.156	0.063	2.130
Rpim	0.043	0.018	0.587
Number of reflections	55055	2976	2700
<I/σ(I)>	4.7
Completeness [%]	99.9	99.7	100
Redundancy	13	12.3	12.8
CC(1/2)		0.998	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium sulfate, 0.1 M Bis-tris, pH 5.5, and 25 % (w/v) PEG 3350