6N74

Crystal Structure of ATPase delta1-79 Spa47 R271E

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	2018-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	44.153, 153.770, 54.706
Unit cell angles	90.00, 110.05, 90.00

Refinement procedure

Resolution	42.726 - 1.852
R-factor	0.1745
Rwork	0.173
R-free	0.20810
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	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.091	0.048	1.239
Rmeas	0.099	0.052	1.343
Rpim	0.037	0.019	0.510
Total number of observations	394559
Number of reflections	57246	5778	5715
<I/σ(I)>	3.7
Completeness [%]	99.0	98.7	98.9
Redundancy	6.9	7	6.8
CC(1/2)		0.998	0.547

Crystallization Conditions

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