5VCI

RNA hairpin structure containing tetraloop/receptor motif, complexed with 2-MeImpG analogue

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	2016-10-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	69.612, 69.612, 70.853
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.910 - 2.600
R-factor	0.16487
Rwork	0.162
R-free	0.21232
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.010
RMSD bond angle	1.787
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.054	0.526
Number of reflections	3864	338
<I/σ(I)>	18.45	1.81
Completeness [%]	97.8	87.8
Redundancy	3.2	2.4
CC(1/2)	0.944	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	50 mM MgCl2, 0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 7.0, 25% w/v Polyethylene glycol 3,350