3V0G

Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), form III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1158
Spacegroup name	P 1
Unit cell lengths	50.863, 83.863, 83.604
Unit cell angles	86.55, 89.55, 89.38

Refinement procedure

Resolution	83.710 - 1.600
R-factor	0.25809
Rwork	0.256
R-free	0.29839
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB: 3V0D
RMSD bond length	0.006
RMSD bond angle	0.956
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.800	1.500
High resolution limit [Å]	1.500	1.500
Rmerge	0.055	0.290
Number of reflections	176659
<I/σ(I)>	15.3	2.4
Completeness [%]	80.5	83.1
Redundancy	2.6	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	17.5-22.5% PEG 2000, 0.1 M ammonium dihydrophosphate, 0.1 M Tris-HCl,pH 8.0; crystals were dehydrated in 30% PEG 2000, 0.1 M ammonium dihydrophosphate, 0.1 M Tris-HCl,pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K