5SYP

Crystal Structure of ATPase delta1-79 Spa47 K165A

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	44.401, 154.064, 54.938
Unit cell angles	90.00, 110.29, 90.00

Refinement procedure

Resolution	42.831 - 2.150
R-factor	0.196
Rwork	0.194
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
RMSD bond length	0.003
RMSD bond angle	0.714
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	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.131	0.043	1.103
Number of reflections	37584
<I/σ(I)>	6.4
Completeness [%]	100.0	99.9	100
Redundancy	5	5.3	4.3
CC(1/2)	0.997	0.998	0.481

Crystallization Conditions

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