3VR3

Crystal structure of AMP-PNP bound A3B3 complex from Enterococcus hirae V-ATPase [bA3B3]

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	2010-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	122.110, 124.130, 245.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.990 - 3.400
R-factor	0.19997
Rwork	0.198
R-free	0.23914
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr4
RMSD bond length	0.007
RMSD bond angle	1.032
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.990	3.580
High resolution limit [Å]	3.400	3.400
Rmerge	0.138	0.407
Number of reflections	52024
<I/σ(I)>	10.6	4.6
Completeness [%]	99.8	100
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	26% PEG 3350, 0.1M HEPES, 0.2M Sodium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K