3CN5

Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E, S274E mutant

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	2007-07-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.8726
Spacegroup name	I 4
Unit cell lengths	87.033, 87.033, 87.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.15996
Rwork	0.159
R-free	0.18145
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z98
RMSD bond length	0.018
RMSD bond angle	1.293
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]	20.000	2.160
High resolution limit [Å]	2.050	2.050
Number of reflections	20465
Completeness [%]	100.0
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	280	30% PEG400, 0.1M NaCl, 0.1M MgCl2, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K