8QGZ

NbE201 a nanobody binding human neutrophil elastase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	61.680, 88.680, 86.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.340 - 1.800
R-factor	0.2188
Rwork	0.217
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.350	1.850
High resolution limit [Å]	1.800	1.800
Number of reflections	43692	3201
<I/σ(I)>	8.24
Completeness [%]	97.9	99
Redundancy	9.5
CC(1/2)	0.994	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The crystals were grown at 20oC using the sitting drop vapor diffusion method. The drop contained 0.2 uL of NbE201 at a concentration of 15 mg/mL-1 and 0.2 uL of PBS buffer pH 7.4, 10 mM Na2HPO4, 1.8 mM KH2PO4, 137 mM NaCl, 2.7 mM KCl, in a cryo-protectant solution of 0.2 M Ca Acetate, 0. 1M Na Cacodylate pH 6.5 with 18% (%v/v) polyethylene glycol 8000 et 33% (%v/v) glycerol before being frozen in liquid nitrogen.