6YA3

Crystal structure of PnrA from S. pneumoniae in complex with guanosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979264
Spacegroup name	C 2 2 21
Unit cell lengths	78.784, 304.919, 128.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.180 - 2.280
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fqw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.230	2.330
High resolution limit [Å]	2.280	2.280
Rpim	0.080	0.690
Number of reflections	70796	4526
<I/σ(I)>	10	1.7
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	28% PEG 600, 0.2 M calcium acetate and 0.1 M sodium cacodylate (pH 6.5)