3IWN

Co-crystal structure of a bacterial c-di-GMP riboswitch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	31.800, 91.000, 280.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 3.200
R-factor	0.222
Rwork	0.222
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.250
High resolution limit [Å]	3.200	3.200
Rmerge	0.179	0.438
Number of reflections	11257
<I/σ(I)>	7.9	2.2
Completeness [%]	84.0	75.4
Redundancy	4.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	303	30% PEG3350 0.1M Tris pH8.5 0.3M ammonium acetate pH7.0 3mM MgCl2 1 mM spermine , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K