3CLL

Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.931
Spacegroup name	I 4
Unit cell lengths	86.855, 86.855, 86.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.400 - 2.300
R-factor	0.16612
Rwork	0.165
R-free	0.19269
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z98
RMSD bond length	0.021
RMSD bond angle	1.831
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]	61.430	2.420
High resolution limit [Å]	2.300	2.300
Number of reflections	14333
Completeness [%]	100.0
Redundancy	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	280	30% PEG 400, 0.1M NaCl, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 280K