7F49

von Willebrand factor (VWF) A1 domain with BT-100 aptamer RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97894
Spacegroup name	P 21 21 2
Unit cell lengths	64.980, 122.404, 42.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.550 - 2.090
R-factor	0.209
Rwork	0.207
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sq0
RMSD bond length	0.004
RMSD bond angle	1.945
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.590	2.200
High resolution limit [Å]	2.090	2.090
Rmerge	0.047	0.391
Rmeas	0.052	0.452
Rpim	0.021	0.219
Number of reflections	19318	2840
<I/σ(I)>	21.3
Completeness [%]	92.5	95.8
Redundancy	6	3.9
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M Sodium Acetate pH 4.6, 18% w/v PEG 4000