1K1X

Crystal structure of 4-alpha-glucanotransferase from thermococcus litoralis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-07
Detector	RIGAKU RAXIS
Wavelength(s)	1.0200
Spacegroup name	P 21 21 2
Unit cell lengths	137.682, 161.494, 70.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.400
R-factor	0.197
Rwork	0.195
R-free	0.25600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.090 *	0.321 *
Total number of observations	274277 *
Number of reflections	61753 *	8891 *
Completeness [%]	99.9 *	99.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	25 *	MPD, CALCIUM CHLORIDE, TRIS, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	35 (%(w/v))
2	1	reservoir		20 (mM)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.0
4	1	drop	protein	10-20 (mg/ml)
5	1	drop	Tris-HCl	5 (mM)	pH7.5
6	1	drop	dithiothreitol	10 (mM)