1LF6

CRYSTAL STRUCTURE OF BACTERIAL GLUCOAMYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.01
Spacegroup name	P 21 21 21
Unit cell lengths	81.186, 102.513, 164.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.100
Rwork	0.194
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	23.100 *
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]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.035	0.070
Total number of observations	446637 *
Number of reflections	76199
<I/σ(I)>	38.5
Completeness [%]	90.0	82
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	PEG 3350, Tris-HCl, Lithium Sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 24K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH7.5
2	1	reservoir	PEG3350	14-16 (%)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0
4	1	reservoir		200 (mM)