5BW9

Crystal Structure of Yeast V1-ATPase in the Autoinhibited Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9782
Spacegroup name	C 1 2 1
Unit cell lengths	468.479, 159.740, 245.040
Unit cell angles	90.00, 113.88, 90.00

Refinement procedure

Resolution	40.101 - 7.000
R-factor	0.2642
Rwork	0.260
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vr5 chains A B C D E F
RMSD bond length	0.001
RMSD bond angle	0.423
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1957))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.010	40.000	7.120
High resolution limit [Å]	7.000	18.400	7.000
Rmerge	0.189	0.093
Rmeas	0.201	0.100
Rpim	0.094	0.035	0.821
Total number of observations	222178
Number of reflections	26115
<I/σ(I)>	4.7
Completeness [%]	100.0	100	100
Redundancy	8.5	8.1	8.4
CC(1/2)		0.994	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROFLUIDIC	7.5	291	9.5 % PEG 8k, 150mM Ammonium Sulfate, 100mM HEPES, 12.5mM MgCl2