6NEO

Crystal structure of PprA filament from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-08
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 64 2 2
Unit cell lengths	148.979, 148.979, 79.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.032 - 5.940
R-factor	0.2881
Rwork	0.287
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6MC8 chain B
RMSD bond length	0.001
RMSD bond angle	0.357
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.530	6.640
High resolution limit [Å]	5.940	5.940
Rmerge	0.261
Rmeas	0.278
Rpim	0.074	0.565
Number of reflections	1513	402
<I/σ(I)>	9.5	1.4
Completeness [%]	98.8	96.8
Redundancy	13.9	13.8
CC(1/2)	0.995	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	1:1 4.9 mg/mL protein in 150 mM potassium chloride, 20 mM Tris, pH 8.0 + Morpheus II-FX96 (Molecular Dimensions) condition H2 - 40 mM polyamines (spermine tetrahydrochloride, spermidine trihydrochloride, 1,4-diaminobutane dihydrochloride, DL-ornithine monohydrochloride), 50% v/v Precipitant Mix 6 (25% w/v PEG4000, 40% w/v 1,2,6-hexanetriol), 0.1 M Buffer System 4 (Gly-Gly, AMPD) at pH 6.5. The drop was suspended over a 1.5 M ammonium sulfate dehydrating solution and incubated at 20 degrees C for about 5 months.