1KTW

IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	54.730, 122.310, 91.941
Unit cell angles	90.00, 90.99, 90.00

Refinement procedure

Resolution	25.000 * - 2.000
Rwork	0.203
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h80
RMSD bond length	0.007 *
RMSD bond angle	1.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.037 *	0.076 *
Total number of observations	153545 *
Number of reflections	79185
Completeness [%]	95.3	88.4
Redundancy	1.93 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	281	PEG6000, 200mM calcium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
3	1	reservoir	PEG6000	15-17 (%(w/v))
4	1	reservoir	calcium acetate	200 (mM)