3I2R

Crystal structure of the hairpin ribozyme with a 2',5'-linked substrate with N1-deazaadenosine at position A9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9700
Spacegroup name	P 61 2 2
Unit cell lengths	93.650, 93.650, 132.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.770 - 2.800
R-factor	0.232
Rwork	0.232
R-free	0.27300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2oue
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.081	0.454
Number of reflections	8903
<I/σ(I)>	9.7	3.7
Completeness [%]	99.5	100
Redundancy	10.5	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	Well solutions contained 20.5% w/v PEG 2000 MME, 0.10 M Na cacodylate pH 6.5 or 7.0, 0.25 M Li2SO4, 2.5 mM Co(NH3)6Cl3 and 2 mM Spermidine-HCl. Crystals grew as hexagonal rods or plates and reached a size of 0.3 mm x 0.2 mm x 0.2 mm in approximately 3 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 2000 MME
10	1	2	Spermidine-HCl
2	1	1	Na cacodylate
3	1	1	Li2SO4
4	1	1	Co(NH3)6Cl3
5	1	1	Spermidine-HCl
6	1	2	PEG 2000 MME
7	1	2	Na cacodylate
8	1	2	Li2SO4
9	1	2	Co(NH3)6Cl3