9EN2

Crystal structure of the metalloproteinase enhancer PCPE-1 complexed with nanobodies VHH-H4 and VHH-I5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.977794
Spacegroup name	P 21 21 21
Unit cell lengths	54.830, 95.945, 110.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.200
Rwork	0.208
R-free	0.24216
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (20210322)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	1.033
Rmeas	0.107
Rpim	0.063
Number of reflections	30184	28630
<I/σ(I)>	9.5	1.3
Completeness [%]	99.5
Redundancy	4.8
CC(1/2)	0.997	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	292.15	10% PEG 8000, 50 mM L-argininamide dihydrochloride, 50 mM spermine, 50 mM sodium cacodylate pH 6.5, 50 mM potassium chloride