6JD5

ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97890
Spacegroup name	P 1 21 1
Unit cell lengths	51.449, 69.691, 75.963
Unit cell angles	90.00, 100.57, 90.00

Refinement procedure

Resolution	38.707 - 2.200
R-factor	0.1781
Rwork	0.176
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nh0
RMSD bond length	0.007
RMSD bond angle	0.976
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]	74.674	40.933	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.030	0.642
Rmeas	0.099	0.032	0.694
Rpim	0.037	0.013	0.261
Total number of observations	184657	5870	27445
Number of reflections	26929	887	3933
<I/σ(I)>	13.5	38.4	2.8
Completeness [%]	99.9	99.2	100
Redundancy	6.9	6.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M BIS-TRIS pH 6.5, 45% (v/v) PEG400