6Y9U

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

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	2018-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979240
Spacegroup name	C 2 2 21
Unit cell lengths	78.221, 304.958, 128.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 2.500
Rwork	0.190
R-free	0.23000
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]	49.060	2.560
High resolution limit [Å]	2.500	2.500
Rpim	0.040	0.360
Number of reflections	50919	3737
<I/σ(I)>	13.6	2.2
Completeness [%]	99.9
Redundancy	11.3
CC(1/2)	0.990	0.740

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)