9YI3

Crystal structure of PprA S-F filament from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 2
Unit cell lengths	89.425, 147.348, 44.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.470 - 1.820
R-factor	0.2624
Rwork	0.262
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	XDS (Jan 19, 2025 (BUILT 20250714))
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.0_5824)
Refinement software	PHENIX (2.0_5824)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.448	2.383
High resolution limit [Å]	1.820	1.820
Rmerge	0.583	3.740
Rmeas	0.597	3.842
Rpim	0.128	0.864
Number of reflections	28051	5610
<I/σ(I)>	7.8	2.6
Completeness [%]	92.9	81.6
Redundancy	20.8	17.5
CC(1/2)	0.991	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.0 ul of protein solution was mixed with 2.0 uL of crystallization solution and hung upside-down in a sealed chamber containing 1mL of well solution. | Protein solution: 2.98 mg/mL PprA (100 uM), 150mM KCl, 20mM Tris, pH 7.5 | Crystallization solution: 800 mM LiCl, 32% (w/v) PEG 4000, 100 mM HEPES, pH 8.0 | Well solution: 0.8 M Ammonium sulfate