1J4N

Crystal Structure of the AQP1 water channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Detector	ADSC
Spacegroup name	I 4 2 2
Unit cell lengths	93.331, 93.331, 180.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.266 *
Rwork	0.266
R-free	0.30800
RMSD bond length	0.006
RMSD bond angle	19.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.062	0.582 *
Number of reflections	19626
<I/σ(I)>	41.8
Completeness [%]	99.7 *	100 *
Redundancy	15.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	277	Sui, H., (2000) Acta Crystallogr., D56, 1198. *
1	Vapor diffusion, sitting drop *	7.5	277	Sui, H., (2000) Acta Crystallogr., D56, 1198. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	reservoir	PEG550 MME	20 (%)
4	1	reservoir	Tris-HCl	10 (mM)	pH7.5