3VR4

Crystal structure of Enterococcus hirae V1-ATPase [eV1]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 21 21 21
Unit cell lengths	127.980, 128.480, 225.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.042 - 2.172
R-factor	0.1685
Rwork	0.167
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT and SAD
Starting model (for MR)	3vr2 3aon 3a5c
RMSD bond length	0.003
RMSD bond angle	0.738
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_934))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.120	2.230
High resolution limit [Å]	2.170	2.170
Rmerge	0.090	0.535
Number of reflections	195452
<I/σ(I)>	16.8	3.7
Completeness [%]	99.7	97.1
Redundancy	7.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	29.2% PEG3350, 0.1M NaF, 0.1M Bis-Tris propane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	29.2% PEG3350, 0.1M NaF, 0.1M Bis-Tris propane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K