4LCK

Co-crystal structure of a T-box riboswitch stem I domain in complex with its cognate tRNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	100.382, 108.474, 266.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.416 - 3.200
R-factor	0.1984
Rwork	0.196
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT, SAD
Starting model (for MR)	PDB ENTRIES 3L0U and 3V7E
RMSD bond length	0.001
RMSD bond angle	0.366
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXD
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.420	3.699	3.265
High resolution limit [Å]	3.200	3.593	3.200
Rmerge	0.062
<I/σ(I)>	11.1
Completeness [%]	98.9	99	98
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM Bis-Tris (HCl) pH 6.5, 300 mM Li2SO4, and 20% (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM Bis-Tris (HCl) pH 6.5, 300 mM Li2SO4, and 20% (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM Bis-Tris (HCl) pH 6.5, 300 mM Li2SO4, and 20% (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM Bis-Tris (HCl) pH 6.5, 300 mM Li2SO4, and 20% (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K