1I3J

CRYSTAL STRUCTURE OF THE DNA-BINDING DOMAIN OF INTRON ENDONUCLEASE I-TEVI WITH ITS SUBSTRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-20
Detector	BRANDEIS - B1
Wavelength(s)	1.2
Spacegroup name	P 1 21 1
Unit cell lengths	55.140, 65.210, 43.670
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.215 *
Rwork	0.215
R-free	0.24800
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	20.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.043 *	0.389
Number of reflections	17561
<I/σ(I)>	9	3.8
Completeness [%]	99.4	96.5 *
Redundancy	5.02	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	10 *	PEG3350, MES, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K
1	VAPOR DIFFUSION, HANGING DROP	6.5	10 *	PEG3350, MES, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 3350
2	1	1	MES
3	1	1	glycerol

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	PEG3350	18 (%)
3	1	reservoir		15 (%)
4	1	reservoir	MES	0.06 (M)