5VJ9

Guanidine-II riboswitch P2 hairpin dimer from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9193
Spacegroup name	P 21 21 21
Unit cell lengths	50.252, 60.664, 72.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.570
R-factor	0.1943
Rwork	0.192
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.845
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.600
High resolution limit [Å]	1.570	4.260	1.570
Rmerge	0.052	0.031	1.016
Rmeas	0.055	0.033	1.097
Rpim	0.016	0.010	0.402
Total number of observations	361260
Number of reflections	31438
<I/σ(I)>	7.6
Completeness [%]	99.8	99.5	98.8
Redundancy	11.5	11.2	6.9
CC(1/2)		0.999	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5	296.15	40% MPD, 50 mM Na-acetate, pH 5.0, 12 mM NaCl, 80 mM KCl, and 12 mM spermine