7A6O

Crystal Structure of the Complex of the Recombinant Von Willebrand Factor AIM-A1 domain and VHH81 at 2.1 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	283
Detector technology	PIXEL
Collection date	2020-02-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	65.234, 65.234, 233.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.800 - 2.117
Rwork	0.195
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1auq
RMSD bond length	0.010
RMSD bond angle	1.727
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.900	2.300
High resolution limit [Å]	2.117	2.117
Rmerge	0.048	0.645
Number of reflections	19344	2527
<I/σ(I)>	15.1	1.7
Completeness [%]	92.4	69.2
Redundancy	5.2
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	283	3.2 M ammonium sulphate, 0.08 M sodium citrate