8XZP

Crystal structure of folE riboswitch with 8-CH3 Guanine

This is a non-PDB format compatible entry.

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	2022-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	49.531, 58.085, 61.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.050 - 2.180
R-factor	0.2078
Rwork	0.207
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.043
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	2.230
High resolution limit [Å]	2.180	5.940	2.190
Rmerge	0.094	0.056	0.897
Rmeas	0.099	0.059	0.933
Rpim	0.028	0.018	0.256
Number of reflections	9713	552	468
<I/σ(I)>	6.1
Completeness [%]	99.9	98.7	100
Redundancy	12.5	10.9	13
CC(1/2)	0.985	0.997	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.08 M Sodium chloride, 0.04 M Sodium cacodylate trihydrate pH 7.0, 30% v/v MPD, 0.012 M Spermine tetrahydrochloride