6DLR

PRPP Riboswitch bound to PRPP, iridium-hexamine soaked structure

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	2017-08-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1051
Spacegroup name	C 1 2 1
Unit cell lengths	83.520, 92.677, 74.487
Unit cell angles	90.00, 121.21, 90.00

Refinement procedure

Resolution	19.535 - 2.656
R-factor	0.1997
Rwork	0.197
R-free	0.22170
RMSD bond length	0.002
RMSD bond angle	0.551
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	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.119	0.563
Rpim	0.073	0.349
Number of reflections	24713
<I/σ(I)>	27.2
Completeness [%]	96.5
Redundancy	3.4
CC(1/2)	0.808

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)