1NYI

Crosslinked Hammerhead Ribozyme Initial State

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.15
Spacegroup name	P 31 2 1
Unit cell lengths	65.639, 65.639, 137.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.750 * - 2.850
R-factor	0.21 *
Rwork	0.203
R-free	0.23000 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	urx 057
RMSD bond length	0.010
RMSD bond angle	2.007
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	2.923
High resolution limit [Å]	2.850	2.850
Rmerge	0.072	0.349
Total number of observations	8413 *
Number of reflections	7544
<I/σ(I)>	13.8	2.2
Completeness [%]	99.3 *	99.3
Redundancy	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	16 *	1.8 M Lithium sulphate and 50 mM sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 20.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	LiSO4
2	1	1	sodium cacodylate
3	1	2	LiSO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ribozyme	1 (mM)
2	1	drop	sodium acetate	50 (mM)	pH5.0
3	1	drop		1.8 (M)
4	1	reservoir	sodium acetate	50 (mM)	pH5.0
5	1	reservoir		1.8 (M)
6	1	reservoir	EDTA	1.0 (mM)