6DLS

PRPP Riboswitch bound to PRPP, thallium acetate soaked structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	85.220, 91.977, 75.058
Unit cell angles	90.00, 122.80, 90.00

Refinement procedure

Resolution	19.350 - 2.885
R-factor	0.2097
Rwork	0.207
R-free	0.23480
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	19.350
High resolution limit [Å]	2.885	2.900
Rmerge	0.098	0.826
Rpim	0.050	0.454
Number of reflections	19937
<I/σ(I)>	28.2
Completeness [%]	97.9
Redundancy	4.8
CC(1/2)	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M NH4-acetate, 0.1 M HEPES-KOH pH 7.4, and 45% 2-methyl-2,4-pentanediol (v/v)