5VJB

Guanidine-II riboswitch P2 hairpin dimer with 5-bromoU substitution 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)	0.919300
Spacegroup name	P 21 21 21
Unit cell lengths	50.234, 60.540, 71.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.2167
Rwork	0.216
R-free	0.23830
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.995
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.068	0.040	1.058
Rmeas	0.073	0.043	1.142
Rpim	0.028	0.017	0.427
Number of reflections	25445
<I/σ(I)>	6.8
Completeness [%]	99.9	99.8	100
Redundancy	6.8	6.9	7
CC(1/2)		0.998	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	296.15	1:1 ratio of 200uM RNA in crystallization buffer (10 mM MgCl2, 10 mM KCl, 10 mM HEPES-KOH, pH 7.5, and 40 mM guanidine) and crystallization reagent (45% MPD, 50 mM MES, pH 5.6, 4 mM NaCl, 40 mM KCl, and 12 mM spermine)