9OR6

Crystal structure of PprA S-F-S tetramer from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	183.486, 34.083, 98.734
Unit cell angles	90.00, 98.34, 90.00

Refinement procedure

Resolution	90.770 - 2.900
R-factor	0.2276
Rwork	0.227
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.642
Data reduction software	XDS (Jan 31, 2020 (BUILT 20200131))
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.774	2.954
High resolution limit [Å]	2.900	2.904
Rmerge	0.094	0.443
Rmeas	0.130	0.610
Rpim	0.069	0.417
Number of reflections	13352	633
<I/σ(I)>	9.6	2.4
Completeness [%]	96.2	100
Redundancy	3.3	3.4
CC(1/2)	0.993	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.5 ul of protein solution was mixed with 1.0 uL of crystallization solution and hung upside-down in a sealed chamber containing 1mL of well solution. | Protein solution: 5.0 mg/mL PprA (168 uM), 43bp dsDNA (101 uM), 150mM KCl, 20mM Tris, pH 7.5, 1 mM MgCl2. | Crystallization solution (Molecular Dimensions - Morpheus 2 #94): 10 mM Spermine tetrahydrochloride, 10 mM Spermidine trihydrochloride, 10 mM 1,4 Diaminobutane dihydrochloride, 10 mM DL Ornithine monohydrochloride 0.1M Gly-Gly, AMPD, pH 8.5, 13% w/v PEG 4000, 21% w/v 1,2,6 Hexanetriol. | Well solution: 2.0 M Ammonium sulfate.