4RZD

Crystal Structure of a PreQ1 Riboswitch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-02-19
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 65 2 2
Unit cell lengths	84.083, 84.083, 278.365
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.294 - 2.750
R-factor	0.2138
Rwork	0.212
R-free	0.22770
Structure solution method	SIRAS
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.400	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.034	0.500
Number of reflections	25223
<I/σ(I)>	14.8	1.4
Completeness [%]	94.2	79.3
Redundancy	2.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	85% Tacsimate pH 7.0, 0.010 M Mg(C2H3O2)2, 0.006 M Co(NH3)6Cl3, and 0.001 M spermine HCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K