6CK5

PRPP riboswitch from T. mathranii bound to PRPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	33.977, 89.575, 136.367
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	37.350 - 2.490
R-factor	0.2164
Rwork	0.214
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t83
RMSD bond length	0.009
RMSD bond angle	1.842
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.100	0.048	1.068
Rmeas	0.118	0.057	1.246
Rpim	0.061	0.031	0.633
Total number of observations	100854
Number of reflections	27959	1400	1405
<I/σ(I)>	9.3
Completeness [%]	98.2	95.6	98.9
Redundancy	3.6	3.1	3.9
CC(1/2)		0.998	0.176

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	303.15	150 uM RNA in 10 mM magnesium chloride, 10 mM potassium chloride, 10 mM HEPES-KOH, pH 7.5, 10 mM PRPP, mixed 2:1 with 80 mM sodium chloride, 20 mM barium chloride dihydrate, 40 mM sodium cacodylate trihydrate, pH 5.6, 45% v/v MPD, 12 mM spermine tetrahydrachloride. Crystals were flash-frozen without further preparation.