6GJU

human NBD1 of CFTR in complex with nanobodies T2a and T4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	293
Detector technology	PIXEL
Collection date	2015-07-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	38.680, 135.780, 190.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 2.600
R-factor	0.2216
Rwork	0.220
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2PZE and 1MEL
RMSD bond length	0.008
RMSD bond angle	1.120
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]	46.400	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.120	0.120
Rmeas	0.131	0.131
Number of reflections	17227	16001
<I/σ(I)>	15.39
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Sodium sulfate, 20% w/v PEG 3350