4G6R

Minimal Hairpin Ribozyme in the Transition State with G8I Variation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97885
Spacegroup name	P 61 2 2
Unit cell lengths	93.127, 93.127, 128.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.170 - 2.832
R-factor	0.1788
Rwork	0.176
R-free	0.22020
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.881
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.930
High resolution limit [Å]	2.830	6.090	2.830
Rmerge	0.059	0.041	0.656
Number of reflections	8172
<I/σ(I)>	18.2
Completeness [%]	97.6	93.8	95.1
Redundancy	6.7	6.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	22% (w/v) PEG 2000 MME, 0.1M HEPES pH=7.0, 0.25 M Lithium Sulfate, 1mM Cobalt Hexamine, 2mM spermadine, vapor diffusion, Hanging Drop, temperature 295K