8Q6N

Xanthin riboswitch in complex with oxypurinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.102
Spacegroup name	I 2 2 2
Unit cell lengths	72.811, 85.091, 97.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.340 - 2.630
R-factor	0.2391
Rwork	0.237
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7elp
RMSD bond length	0.008
RMSD bond angle	0.780
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.630	2.660
Rmerge	0.100	1.047
Rpim	0.013	2.900
Number of reflections	6639	332
<I/σ(I)>	4.2	0.2
Completeness [%]	98.0	84.9
Redundancy	12	9.6
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	287	0.1M ammonium sulfate, 0.1M sodium chloride, 20% PEG 8000, 1M sodium formate, 50mM Bis-Tris