5SWL

Crystal Structure of ATPase delta1-79 Spa47 E188A

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	45.092, 152.597, 54.483
Unit cell angles	90.00, 110.58, 90.00

Refinement procedure

Resolution	35.561 - 2.700
R-factor	0.2033
Rwork	0.200
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swj
RMSD bond length	0.002
RMSD bond angle	0.423
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.149	0.052	0.868
Number of reflections	18877
<I/σ(I)>	4.5
Completeness [%]	99.9	99.4	100
Redundancy	4.3	4.7	4.3
CC(1/2)	0.990	0.998	0.595

Crystallization Conditions

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