6N70

Crystal Structure of ATPase delta1-79 Spa47 R191A

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)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	43.773, 154.238, 55.133
Unit cell angles	90.00, 109.54, 90.00

Refinement procedure

Resolution	43.091 - 2.738
R-factor	0.1985
Rwork	0.196
R-free	0.25200
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	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.163	0.079	0.746
Rmeas	0.180	0.087	0.880
Rpim	0.075	0.036	0.457
Total number of observations	96333
Number of reflections	17848	907	836
<I/σ(I)>	5.6
Completeness [%]	98.6	97.2	96.8
Redundancy	5.4	5.7	3.3
CC(1/2)		0.993	0.671

Crystallization Conditions

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