9YL4

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 21
Unit cell lengths	95.837, 111.339, 402.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.570 - 3.700
R-factor	0.2291
Rwork	0.226
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.603
Data reduction software	XDS (Jan 19, 2025 (BUILT 20250)
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]	107.318	4.069
High resolution limit [Å]	3.700	3.704
Rmerge	0.303	3.411
Rmeas	0.311	3.583
Rpim	0.066	0.785
Number of reflections	34323	1716
<I/σ(I)>	8.4	1.4
Completeness [%]	92.6	64.6
Redundancy	21.7	20.3
CC(1/2)	0.998	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.0 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: 6.4 mg/mL PprA (214 uM), 150mM KCl, 20mM Tris, pH 7.5 | Crystallization solution (Molecular Dimensions - MCSG2 #82): 200 mM NaCl, 20% (w/v) PEG 8000, 100 mM CAPS:NaOH, pH 10.5 | Well solution: 1.25 M Ammonium sulfate