8GHJ

Crystal structure of human AQP2 T125M mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.977
Spacegroup name	P 42
Unit cell lengths	118.310, 118.310, 90.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.500 - 3.900
R-factor	0.2903
Rwork	0.288
R-free	0.31310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nef
RMSD bond length	0.003
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.990
High resolution limit [Å]	3.900	3.900
Number of reflections	22380	1641
<I/σ(I)>	0.43
Completeness [%]	99.9
Redundancy	21.3
CC(1/2)	0.990	0.287

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20- 30% PEG400, Tris-HCl pH 8.5, 0.1M MgCl2, 0.1M NaCl, 0.025 M CdCl2 added to the drop only