1IU3

CRYSTAL STRUCTURE OF THE E.COLI SEQA PROTEIN COMPLEXED WITH HEMIMETHYLATED DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-01
Detector	MARRESEARCH
Wavelength(s)	0.979713
Spacegroup name	P 6 2 2
Unit cell lengths	152.595, 152.595, 119.355
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 3.000
Rwork	0.238
R-free	0.28600
Structure solution method	MAD
RMSD bond length	0.032
RMSD bond angle	3.160 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.072 *	0.400 *
Number of reflections	16548 *
Completeness [%]	98.5	95.9 *
Redundancy	11.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES-Na, tri-Sodium Citrate dihydrate, Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES-Na, tri-Sodium Citrate dihydrate, Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES-Na
2	1	1	tri-Sodium Citrate dihydrate
3	1	1	Glycerol

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	HEPES	90 (mM)	pH7.5
3	1	reservoir	tri-sodium citrate dihydrate	1.26 (M)
4	1	reservoir	glycerol	10 (%)