6BDU

Crystal structure of PprA 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	2017-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 2 21 21
Unit cell lengths	56.629, 99.149, 116.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.210 - 2.000
R-factor	0.2065
Rwork	0.205
R-free	0.23570
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.688
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.340	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.152	1.628
Rmeas	0.159	1.606
Rpim	0.061	0.662
Number of reflections	45262	3281
<I/σ(I)>	11.2	1.9
Completeness [%]	100.0
Redundancy	12.1	12.6
CC(1/2)	0.997	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	Protein at 2.4mg/mL in 150mM KCl, 20mM Tris, pH 7.5 was mixed in 1:1 volume ratio with a solution of 0.2 M Lithium Citrate Tribasic and 20 % (w/v) PEG 3350. The drop was suspended over 1.5M Ammonium sulfate.