1K1W

Crystal structure of 4-alpha-glucanotransferase from thermococcus litoralis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-03
Detector	RIGAKU RAXIS
Wavelength(s)	0.9793, 0.9795, 1.0400
Spacegroup name	P 64 2 2
Unit cell lengths	124.940, 124.940, 246.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.880 - 2.800
R-factor	0.224
Rwork	0.221
R-free	0.28900
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.800 *	2.800 *
Rmerge	0.042 *	0.186 *
Total number of observations	107608 *
Number of reflections	27918	2760 *
Completeness [%]	98.4 *	98.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	PEG400, AMMONIUM SULFATE, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.9 (M)
2	1	reservoir	PEG400	2 (%(w/v))
3	1	reservoir	HEPES-NaOH	0.1 (M)	pH7.5
4	1	drop	protein	10-20 (mg/ml)
5	1	drop	Tris-HCl	5 (mM)	pH7.5
6	1	drop	dithiothreitol	10 (mM)