5C5X

CRYSTAL STRUCTURE OF THE S156E MUTANT OF HUMAN AQUAPORIN 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 63
Unit cell lengths	170.750, 170.750, 189.671
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.800 - 2.600
R-factor	0.195
Rwork	0.193
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d9s
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.810	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.180	0.778
Number of reflections	94885
<I/σ(I)>	7	2.1
Completeness [%]	98.8	99.4
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	281	RESERVOIR SOLUTION (100MM TRIS-HCL PH7.9, 100MM NACL, 21% PEG400) MIXED WITH EACH OF 1,6-HEXANEDIOL (30%, V/V) AND 1,3-PROPANEDIOL (40%, V/V) AND MIXED WITH THE TEMPERATURE 281K