4RUM

Crystal structure of the NiCo transition-metal riboswitch bound to cobalt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9917
Spacegroup name	I 4 2 2
Unit cell lengths	95.790, 95.790, 229.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.867 - 2.643
R-factor	0.1976
Rwork	0.194
R-free	0.23110
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.238
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.640	2.640
Number of reflections	16067
<I/σ(I)>	41.1	1.93
Completeness [%]	99.8	100
Redundancy	14.3	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% v/v methyl pentanediol, 40 mM sodium cacodylate pH 7.0, 12 mM spermine tetrahydrochloride, 40 mM lithium chloride and 80 mM strontium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K