5TFI

Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.18076
Spacegroup name	P 43
Unit cell lengths	40.166, 40.166, 141.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.166 - 1.891
R-factor	0.1626
Rwork	0.158
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pze
RMSD bond length	0.008
RMSD bond angle	1.228
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.890
Number of reflections	17866
<I/σ(I)>	54
Completeness [%]	100.0
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	279	Protein buffer: 150 mM NaCl, 10% (v/v) glycerol,10% (v/v) Ethylene glycol, 10mM MgCl2, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5. Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6