6N6L

Crystal Structure of ATPase delta 1-79 Spa47 R189A R191A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.195
Spacegroup name	P 1 21 1
Unit cell lengths	45.528, 152.916, 54.731
Unit cell angles	90.00, 110.90, 90.00

Refinement procedure

Resolution	35.845 - 2.150
R-factor	0.1881
Rwork	0.186
R-free	0.22710
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	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.117	0.044	1.374
Rmeas	0.127	0.047	1.485
Rpim	0.047	0.017	0.555
Total number of observations	236601
Number of reflections	35105	3913	3248
<I/σ(I)>	6.4
Completeness [%]	90.7	99.7	84.3
Redundancy	6.7	7.6	6.9
CC(1/2)		0.999	0.455

Crystallization Conditions

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