7EOW

High-resolution structure of vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	74.741, 74.741, 122.288
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.550 - 1.600
R-factor	0.1765
Rwork	0.175
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ggs
RMSD bond length	0.006
RMSD bond angle	0.801
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.550	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.064	0.541
Number of reflections	48735	2549
<I/σ(I)>	5.36	5.36
Completeness [%]	95.4
Redundancy	5	10.5
CC(1/2)	0.996	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	20 mM Tris-HCl pH 8 150 mM NaCl 10% glycerol 40% glycerol ethoxylate