5TFA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.97915
Spacegroup name	P 43
Unit cell lengths	40.115, 40.115, 141.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.596 - 1.870
R-factor	0.1608
Rwork	0.158
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pze
RMSD bond length	0.008
RMSD bond angle	0.953
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]	1.870
Number of reflections	18365
<I/σ(I)>	34.6
Completeness [%]	99.4
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	279	Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 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