6GJQ

human NBD1 of CFTR in complex with nanobody T27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979490
Spacegroup name	P 21 21 21
Unit cell lengths	64.490, 118.150, 180.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.930 - 2.490
R-factor	0.2005
Rwork	0.199
R-free	0.23960
RMSD bond length	0.010
RMSD bond angle	1.240
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]	49.400	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.182	0.640
Rmeas	0.193	1.741
Number of reflections	48671
<I/σ(I)>	10.35
Completeness [%]	99.2
Redundancy	9.15
CC(1/2)	0.995	0.467

Crystallization Conditions

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