6DLQ

PRPP Riboswitch bound to PRPP, manganese chloride 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	2017-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	85.321, 90.506, 73.482
Unit cell angles	90.00, 122.52, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.2287
Rwork	0.226
R-free	0.25420
RMSD bond length	0.002
RMSD bond angle	0.580
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.082	0.518
Rpim	0.040	0.327
Number of reflections	21504
<I/σ(I)>	28.1
Completeness [%]	98.4
Redundancy	5.1
CC(1/2)	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M NH4-acetate, 0.1 M HEPES-KOH pH 7.4, and 45% 2-methyl-2,4-pentanediol (v/v)