8IGW

Hexameric Ring Complex of Engineered V1-ATPase bound to 4 ADPs: A3(De)3_(ADP)3cat,1non-cat, Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP)3cat,2non-cat

This is a non-PDB format compatible entry.

Replaces:  7COS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	179.407, 125.077, 180.914
Unit cell angles	90.00, 93.83, 90.00

Refinement procedure

Resolution	48.920 - 4.200
R-factor	0.2439
Rwork	0.242
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.651
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	4.320
High resolution limit [Å]	4.200	4.200
Rmerge	0.240	1.070
Rpim	0.095	0.423
Number of reflections	58670	4576
<I/σ(I)>	7.2	2.1
Completeness [%]	99.9
Redundancy	7.5
CC(1/2)	0.994	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl (pH 8.5), 20% PEG 3350, 0.2M Ammonium Acetate