5UZ6

RNA hairpin structure containing 2-MeImp-oligo 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)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	106.695, 63.066, 65.917
Unit cell angles	90.00, 122.22, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.223
Rwork	0.221
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ux3
RMSD bond length	0.014
RMSD bond angle	2.452
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	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.052	0.323
Number of reflections	20855	1912
<I/σ(I)>	15.5	1.8
Completeness [%]	96.9	89
Redundancy	2.7	2
CC(1/2)		0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	50 mM MgCl2, 3 M ammonia sulfate, 100 mM HEPES 7.5