5ZE9

Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	105.830, 151.370, 235.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.869 - 2.102
R-factor	0.1675
Rwork	0.166
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr6
RMSD bond length	0.006
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	MOLREP (11.2.05)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.230
High resolution limit [Å]	2.100	2.100
Number of reflections	218240
<I/σ(I)>	11.32
Completeness [%]	99.7
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	28% PEG 3350, 20 mM Bis-Tris propane pH 6.5, 0.1 M NaCl, 0.1 M ammonium acetate