6N75

Crystal Structure of ATPase delta1-79 Spa47 E287A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.072
Spacegroup name	P 1 21 1
Unit cell lengths	43.166, 153.241, 54.422
Unit cell angles	90.00, 109.41, 90.00

Refinement procedure

Resolution	42.644 - 2.991
R-factor	0.2222
Rwork	0.220
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.217	0.074	0.910
Rmeas	0.241	0.082	1.033
Rpim	0.104	0.035	0.478
Total number of observations	69453
Number of reflections	13199	1347	1303
<I/σ(I)>	5
Completeness [%]	98.9	98.8	98.9
Redundancy	5.3	5.6	4.4
CC(1/2)		0.995	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	298	Tris, Ammonium Acetate, Lithium Sulfate, PEG 4000, MPD