4NYD

Crystal structure of the E. coli thiM riboswitch in complex with hypoxanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 32 1 2
Unit cell lengths	65.436, 65.436, 101.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.900
Rwork	0.200
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hoj
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.077	0.053	0.576
Number of reflections	5634
<I/σ(I)>	15.5
Completeness [%]	99.4	96.8	99.3
Redundancy	2.9	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	30% PEG2000, 0.5 M ammonium chloride, 50 mM succinate/KOH, pH 7.0, 10 mM manganese chloride, VAPOR DIFFUSION, HANGING DROP, temperature 294K