8YAM

Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	115.880, 115.880, 58.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.100 - 2.150
Rwork	0.184
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.100	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.083	3.360
Rpim	0.015	0.585
Number of reflections	12994	2040
<I/σ(I)>	29.8	1.57
Completeness [%]	99.6	99.2
Redundancy	33.2	33.3
CC(1/2)	0.999	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.3M potassium sodium tartrate, 0.1M sodium citrate (pH 5.6), 2.2M ammonium sulfate