6N6Z

Crystal Structure of ATPase delta 1-79 Spa47 R189E

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	43.824, 153.726, 54.746
Unit cell angles	90.00, 109.67, 90.00

Refinement procedure

Resolution	36.342 - 2.642
R-factor	0.2176
Rwork	0.215
R-free	0.27260
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	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.170	0.095	1.271
Rmeas	0.182	0.101	1.404
Rpim	0.064	0.036	0.581
Total number of observations	150751
Number of reflections	19703	2006	1933
<I/σ(I)>	3.7
Completeness [%]	98.5	98.5	94.9
Redundancy	7.7	8.2	5.4
CC(1/2)		0.994	0.546

Crystallization Conditions

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