5UX3

RNA hairpin structure containing 2-MeImpG monomer analogue and 2-MeImp-oligomer 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	P 43 21 2
Unit cell lengths	46.527, 46.527, 156.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.610 - 2.500
R-factor	0.2204
Rwork	0.218
R-free	0.26127
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.015
RMSD bond angle	2.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (v3.0)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.695
Number of reflections	6436	604
<I/σ(I)>	20.3	1
Completeness [%]	98.7	94.1
Redundancy	5.1	3.9
CC(1/2)	0.943	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	50 mM MgCl2, 3 M ammonia sulfate, 100 mM HEPES 7.5