5V9Z

RNA hairpin structure containing 2-MeImpG analogue bound

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	2016-01-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	45.275, 45.275, 154.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.450 - 2.510
R-factor	0.22161
Rwork	0.218
R-free	0.28106
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.013
RMSD bond angle	2.438
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (3.1)
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	0.100	0.710
Number of reflections	5769	418
<I/σ(I)>	16.3	1.7
Completeness [%]	95.4	73.1
Redundancy	10.6	7.2
CC(1/2)	0.976	0.912

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