8FZ4

The von Willebrand factor A domain of Anthrax toxin receptor 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	C 1 2 1
Unit cell lengths	78.244, 88.969, 59.779
Unit cell angles	90.00, 128.13, 90.00

Refinement procedure

Resolution	39.080 - 2.190
R-factor	0.2193
Rwork	0.217
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.471
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.080	2.268
High resolution limit [Å]	2.190	2.190
Rmerge	0.090	0.862
Rmeas	0.097	0.932
Rpim	0.036	0.350
Number of reflections	16416	1620
<I/σ(I)>	10.8	2.38
Completeness [%]	98.6	98.96
Redundancy	6.9	7
CC(1/2)	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	298	1.2 uL of 20 mg/mL protein in 12.5 mM Tris pH 8.8, 200mM KCl, 10mM MgCl2 combined with 1.2 uL of 0.1 M Glycine pH 9.5, 24% PEG 3350