6ZE1

human NBD1 of CFTR in complex with nanobody G11a

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	2017-06-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97857
Spacegroup name	P 61 2 2
Unit cell lengths	126.949, 126.949, 117.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	109.940 - 2.705
R-factor	0.2098
Rwork	0.207
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gjs
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.940	3.081
High resolution limit [Å]	2.705	2.705
Number of reflections	7989	399
<I/σ(I)>	8
Completeness [%]	93.3
Redundancy	12.2
CC(1/2)	0.996	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Calcium chloride 0.1 M Tris 8.5 25 % w/v PEG 4000, RT.