1Q3H

mouse CFTR NBD1 with AMP.PNP

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	2003-03-12
Detector	MARRESEARCH
Wavelength(s)	0.9198
Spacegroup name	P 4 21 2
Unit cell lengths	171.680, 171.680, 109.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 2.500
R-factor	0.218
Rwork	0.216
R-free	0.26600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.122 *	0.350 *
Number of reflections	57029
Completeness [%]	99.9	99.6 *
Redundancy	14.1 *	13.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4, 20 *	Sodium acetate, tris buffer, sodium chloride, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

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)