6E1W

Crystal structure of a class I PreQ1 riboswitch complexed with PreQ1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	52.297, 52.297, 179.215
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.910 - 1.690
R-factor	0.182
Rwork	0.180
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.800	44.800	1.720
High resolution limit [Å]	1.690	9.100	1.690
Rmerge	0.037	0.025	1.411
Rmeas	0.037	0.026	1.450
Rpim	0.006	0.006	0.326
Total number of observations	569211
Number of reflections	17169	165	783
<I/σ(I)>	44.4
Completeness [%]	99.6	99.7	96.2
Redundancy	33.2	23.2	19
CC(1/2)	1.000	1.000	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	0.01 M magnesium acetate, 0.05 M MES (pH 5.6), 2.7 M ammonium sulfate