3V0F

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

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 21 1
Unit cell lengths	50.746, 80.375, 83.637
Unit cell angles	90.00, 93.12, 90.00

Refinement procedure

Resolution	83.510 - 1.300
R-factor	0.14156
Rwork	0.140
R-free	0.17502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB: 3V0D
RMSD bond length	0.010
RMSD bond angle	1.354
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]	84.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.084	0.584
Number of reflections	153889
<I/σ(I)>	26.3	3.5
Completeness [%]	94.1	90.1
Redundancy	12.5	7

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; crystal were soaked in 30% PEG 2000, 0.1 M ammonium dihydrophosphate, 0.1 M Tris-HCl, pH 8.0 to remove phosphate by serial dilution, VAPOR DIFFUSION, HANGING DROP, temperature 277K