1R0Y

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-23
Detector	MARRESEARCH
Wavelength(s)	0.9198
Spacegroup name	P 4 21 2
Unit cell lengths	171.872, 171.872, 109.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 2.550
R-factor	0.211
Rwork	0.207
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.700
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.500	2.700
High resolution limit [Å]	2.550	2.550
Rmerge	0.077 *	0.350 *
Number of reflections	53962
Completeness [%]	100.0	99.4 *
Redundancy	9.8 *	9.9 *

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)