6AZ4

RNA hairpin complex with guanosine dinucleotide ligand G(5')ppp(5')G

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]	99
Detector technology	CCD
Collection date	2017-09-07
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	79.388, 79.388, 73.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.980
R-factor	0.18206
Rwork	0.181
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.009
RMSD bond angle	2.185
Data reduction software	HKL-2000 (v1.0)
Data scaling software	HKL-2000 (v1.0)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.090
High resolution limit [Å]	2.980	2.980
Rmerge	0.133	0.698
Number of reflections	4712	476
<I/σ(I)>	9.24	1.64
Completeness [%]	91.6	95.2
Redundancy	4.5	4.4
CC(1/2)	0.996	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.05 M Magnesium chloride, 0.1 M Sodium cacodylate trihydrate pH 6.5, 1.4 M Sodium acetate trihydrate