1RC2

2.5 Angstrom Resolution X-ray Structure of Aquaporin Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-15
Detector	ADSC QUANTUM 9
Wavelength(s)	1.1
Spacegroup name	P 4
Unit cell lengths	93.550, 93.550, 80.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.227
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j4n
RMSD bond length	0.008
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.064 *
Total number of observations	58536 *
Number of reflections	27408
<I/σ(I)>	11.5
Completeness [%]	89.9 *	90.7 *
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	polyethylene glycol, monomethyl ether 2000, 100mM sodium cacodylate, 200mM MgCl2, 4% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG2000 MME	28 (%)
3	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
4	1	reservoir		200 (mM)
5	1	reservoir	isopropanol	4 (%)