3B31

Crystal structure of domain III of the Cricket Paralysis Virus IRES RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	58.724, 58.724, 98.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.200 - 2.400
Rwork	0.239
R-free	0.26860
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.350
Data reduction software	ELVES
Data scaling software	CCP4
Phasing software	PHENIX
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.200	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.090
Number of reflections	7225
<I/σ(I)>	27.2	2
Completeness [%]	99.7	99.7
Redundancy	31.9	18.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	303	1.4 M lithium sulfate, 40 mM magnesium acetate, 50 mM HEPES-NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K
1	VAPOR DIFFUSION, HANGING DROP	7.5	303	1.4 M lithium sulfate, 40 mM magnesium acetate, 50 mM HEPES-NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	lithium sulfate
2	1	1	magnesium acetate
3	1	1	HEPES-NaOH
4	1	2	lithium sulfate
5	1	2	magnesium acetate
6	1	2	HEPES-NaOH