5SYR

Crystal Structure of ATPase delta1-79 Spa47 R350A

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	2016-07-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	44.159, 153.664, 54.879
Unit cell angles	90.00, 110.14, 90.00

Refinement procedure

Resolution	40.028 - 1.800
R-factor	0.1793
Rwork	0.178
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
RMSD bond length	0.007
RMSD bond angle	1.143
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.057	0.026	0.880
Number of reflections	63485
<I/σ(I)>	7.4
Completeness [%]	100.0	99.8	100
Redundancy	3.4	3.4	3.3
CC(1/2)	0.999	0.998	0.522

Crystallization Conditions

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