6DMD

ppGpp Riboswitch bound to ppGpp, manganese chloride 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	2018-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.105
Spacegroup name	P 1 21 1
Unit cell lengths	78.741, 49.595, 79.365
Unit cell angles	90.00, 97.29, 90.00

Refinement procedure

Resolution	30.000 - 2.650
R-factor	0.21996
Rwork	0.217
R-free	0.27218
RMSD bond length	0.005
RMSD bond angle	1.223
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.107	0.455
Rpim	0.049	0.243
Number of reflections	16626
<I/σ(I)>	22.5
Completeness [%]	97.4
Redundancy	5.3
CC(1/2)	0.876

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)