6JD4

ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	61.220, 77.314, 106.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.723 - 2.100
R-factor	0.2036
Rwork	0.202
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nh0
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.466	43.723	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.050	0.331
Rmeas	0.140	0.052	0.346
Rpim	0.039	0.015	0.098
Total number of observations	388582	12803	55736
Number of reflections	30107	1068	4313
<I/σ(I)>	17.9	31	9.6
Completeness [%]	100.0	99.7	100
Redundancy	12.9	12	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.49 M sodium phosphate monobasic monohydrate, 0.91 M potassium phosphate dibasic, pH 6.9