7ELQ

Crystal structure of xanthine riboswitch with xanthine, manganese saok

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)	1.2398
Spacegroup name	P 21 21 2
Unit cell lengths	79.472, 92.944, 40.298
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.470 - 2.600
R-factor	0.2133
Rwork	0.211
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7elp
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.141	0.074	0.624
Rmeas	0.148	0.078	0.686
Rpim	0.044	0.023	0.271
Number of reflections	13965	1031	330
<I/σ(I)>	3.7
Completeness [%]	80.3	97	34.6
Redundancy	10.4	11.5	5
CC(1/2)		1.000	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M MES, pH 6.0, 0.2 M calcium acetate, 10% (v/v) isopropanol