5V0O

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	2016-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	44.747, 44.747, 154.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.970 - 2.700
R-factor	0.2205
Rwork	0.218
R-free	0.27661
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnj
RMSD bond length	0.012
RMSD bond angle	1.781
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.100	0.777
Number of reflections	4657	437
<I/σ(I)>	18.24	1.65
Completeness [%]	97.3	94.4
Redundancy	9.1	6.4
CC(1/2)	0.984	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	617-726-5102