6N71

Crystal Structure of ATPase delta1-79 Spa47 R191E

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	44.020, 152.743, 54.467
Unit cell angles	90.00, 109.92, 90.00

Refinement procedure

Resolution	48.554 - 2.450
R-factor	0.2075
Rwork	0.205
R-free	0.24670
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	2.540
High resolution limit [Å]	2.450	5.280	2.450
Rmerge	0.120	0.075	0.535
Rmeas	0.141	0.088	0.635
Rpim	0.072	0.045	0.334
Total number of observations	86688
Number of reflections	23626	2440	2292
<I/σ(I)>	8.6
Completeness [%]	94.1	95.1	92.2
Redundancy	3.7	3.8	3.2
CC(1/2)		0.993	0.724

Crystallization Conditions

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