5VCF

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	2016-09-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	71.073, 71.073, 71.274
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.580 - 2.800
R-factor	0.16517
Rwork	0.163
R-free	0.21335
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.009
RMSD bond angle	1.890
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	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.512
Number of reflections	3296	316
<I/σ(I)>	0.98	1.53
Completeness [%]	99.7	100
Redundancy	3.3	3.3
CC(1/2)		0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	50 mM MgCl2, 200 mM Lithium sulfate monohydrate, 100 mM BIS-TRIS pH 7.0, 25% w/v Polyethylene glycol 3,350