4YAZ

3',3'-cGAMP riboswitch bound with 3',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	66.623, 50.517, 78.657
Unit cell angles	90.00, 90.92, 90.00

Refinement procedure

Resolution	42.504 - 2.000
R-factor	0.2144
Rwork	0.212
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3irw
RMSD bond length	0.010
RMSD bond angle	1.202
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.300	2.160
High resolution limit [Å]	2.000	2.000
Rmerge	0.051
Number of reflections	32313
<I/σ(I)>	13.5	1.6
Completeness [%]	98.3	99
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M Na/K-phosphate, pH 6.2-6.6, 0.2 M NaCl and 40-45% PEG400.