4G6P

Minimal Hairpin Ribozyme in the Precatalytic State with A38P 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	93.664, 93.664, 134.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.017 - 2.641
R-factor	0.186
Rwork	0.185
R-free	0.19710
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.960
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]	50.000	50.000	2.730
High resolution limit [Å]	2.640	5.690	2.640
Rmerge	0.043	0.027	0.812
Number of reflections	10642
<I/σ(I)>	20.6
Completeness [%]	98.6	93.4	94.8
Redundancy	6.9	6.2	6.6

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