6DMC

ppGpp Riboswitch bound to ppGpp, native structure

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	2018-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	78.162, 48.917, 78.723
Unit cell angles	90.00, 97.33, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.22995
Rwork	0.228
R-free	0.25912
RMSD bond length	0.004
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.128	0.886
Rpim	0.069
Number of reflections	27688
<I/σ(I)>	15.8
Completeness [%]	96.1
Redundancy	4
CC(1/2)	0.540	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.075 M MgCl2, 0.1 M Na-acetate pH 4.2, and 21% PEG400 (v/v)