6GKD

human NBD1 of CFTR in complex with nanobodies D12 and G3a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	116.940, 146.830, 188.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 2.990
R-factor	0.1927
Rwork	0.204
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.430	3.099
High resolution limit [Å]	2.992	2.992
Rmerge	0.155	1.106
Rmeas	0.176	1.268
Number of reflections	65508
<I/σ(I)>	11.4
Completeness [%]	99.0
Redundancy	6.7
CC(1/2)	0.992	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350