1S68

Structure and Mechanism of RNA Ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-05-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	57.717, 89.892, 47.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.000 * - 1.900
R-factor	0.19
Rwork	0.190
R-free	0.22700
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.322
Total number of observations	79243 *
Number of reflections	19766
<I/σ(I)>	18.2	2.6
Completeness [%]	97.1	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	23 *	100mM Tris, 8.5, 0.2M sodium acetate, 5mM DTT, 28% PEG-3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K
1	VAPOR DIFFUSION, HANGING DROP	8.5	23 *	100mM Tris, 8.5, 0.2M sodium acetate, 5mM DTT, 28% PEG-3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	100 (mM)	pH8.5
2	1	drop	sodium acetate	0.2 (M)
3	1	drop	dithiothreitol	5 (mM)
4	1	drop	PEG3350	28 (%)
5	1	reservoir	glycerol	20 (%)