7P57

VSG2 mutant structure lacking the calcium binding pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	96.015, 96.015, 108.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 1.961
R-factor	0.162
Rwork	0.160
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vsg
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.010	2.031
High resolution limit [Å]	1.961	1.961
Rmerge	0.098	0.893
Rmeas	0.101	1.023
Rpim	0.021	0.475
Number of reflections	36675	3341
<I/σ(I)>	20.27	0.84
Completeness [%]	99.2	92.39
Redundancy	19.7	3.6
CC(1/2)	0.999	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1M Tris pH 8.0, 39% PEG400