6PMO

Co-crystal structure of the Geobacillus kaustophilus glyQ T-box riboswitch discriminator domain in complex with tRNA-Gly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-21
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	44.851, 139.913, 136.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.978 - 2.657
R-factor	0.229497931299
Rwork	0.225
R-free	0.27258
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.980	2.752
High resolution limit [Å]	2.657	2.657
Rmerge	0.062	1.152
Rmeas	0.069	1.263
Rpim	0.028	0.513
Number of reflections	12731	1219
<I/σ(I)>	16.89
Completeness [%]	99.5	97.59
Redundancy	6	5.9
CC(1/2)	0.998	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1 M Morpheus Buffer System 2 pH 7.5 (Sodium HEPES; MOPS (acid)), 0.09 M Halogens (NaF; NaBr; NaI), 10% w/v PEG 20000, and 20% v/v PEG 500 monomethyl ether (MME)