1R0X

Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 4 21 2
Unit cell lengths	173.292, 173.292, 110.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.200 - 2.200
R-factor	0.234
Rwork	0.211
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.073 *	0.500 *
Number of reflections	75175
Completeness [%]	98.5	92.7
Redundancy	7.0 *	5.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4, 20 *	sodium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	reservoir	sodium acetate	3.5-4.0 (M)