1K1Y

Crystal structure of thermococcus litoralis 4-alpha-glucanotransferase complexed with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	137.610, 160.968, 70.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.400
R-factor	0.198
Rwork	0.198
R-free	0.23600 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.260 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.083 *	0.157 *
Total number of observations	394421 *
Number of reflections	61900 *	6064 *
Completeness [%]	99.7 *	99.3 *

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)