5I32

Ammonia permeable aquaporin AtTIP2;1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	I 4
Unit cell lengths	89.270, 89.270, 82.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.630 - 1.180
R-factor	0.10413
Rwork	0.104
R-free	0.11538
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gd8
RMSD bond length	0.011
RMSD bond angle	1.357
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.02)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.630	1.220
High resolution limit [Å]	1.180	1.180
Rmerge	0.075	1.170
Number of reflections	105884
<I/σ(I)>	12.65	1.63
Completeness [%]	99.6	97.6
Redundancy	13.2	10.8
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	50 mM magnesium/sodium acetate pH 5.0 and 28% (v/v) PEG 400