3A5D

Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Collection date	2007-10-12
Wavelength(s)	1.0000
Spacegroup name	P 3 2 1
Unit cell lengths	380.701, 380.701, 147.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.970 - 4.800
R-factor	0.441
Rwork	0.441
R-free	0.45400
Structure solution method	Combination of MR and MIR
Starting model (for MR)	2hld
RMSD bond length	0.023
RMSD bond angle	2.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.970
High resolution limit [Å]	4.800	4.800
Number of reflections	57305
<I/σ(I)>	13.4	2.1
Completeness [%]	95.2	89.8
Redundancy	5.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	1.6M ammonium sulfate, 0.1M MES-NaOH (pH6.0), 10% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 293K