3W3A

Crystal structure of V1-ATPase at 3.9 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-17
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	382.144, 382.144, 148.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.900 - 3.900
R-factor	0.328
Rwork	0.328
R-free	0.38100
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.040
High resolution limit [Å]	3.900	3.900
Number of reflections	101564
<I/σ(I)>	12.4	12.4
Completeness [%]	90.3	90.3
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	1.6M ammonium sulfate, 10%(v/v) dioxane, 100mM MES(pH 6.0), 10mM ADP, 10mM magnesium chloride, 1.0mM alminum nitrate, 1.0mM potassium fluoride, VAPOR DIFFUSION, SITTING DROP, temperature 293K