6J18

ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97776
Spacegroup name	P 65
Unit cell lengths	89.161, 89.161, 62.637
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.608 - 2.000
R-factor	0.1684
Rwork	0.167
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nh0
RMSD bond length	0.003
RMSD bond angle	0.810
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.123	0.091	0.440
Rmeas	0.138	0.102	0.495
Rpim	0.062	0.046	0.226
Total number of observations	94374
Number of reflections	19280	1012	967
<I/σ(I)>	4.7
Completeness [%]	100.0	99.9	100
Redundancy	4.9	4.9	4.6
CC(1/2)		0.990	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M sodium dihydrogen phosphate monohydrate pH 4.5, 20% (w/v) PEG3350