1KWG

Crystal structure of Thermus thermophilus A4 beta-galactosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-31
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791
Spacegroup name	P 3 2 1
Unit cell lengths	97.737, 97.737, 129.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.730 - 1.600
R-factor	0.167
Rwork	0.167
R-free	0.18400
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	22.900 *
Data reduction software	HKL-2000
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.041	0.289
Total number of observations	2467779 *
Number of reflections	94451 *
<I/σ(I)>	16.2	6.04
Completeness [%]	100.0 *	99.9 *
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	25 *	PEG 8000, sodium acetate trihydrate, sodium cacodyrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate trihydrate	0.2 (M)
2	1	reservoir	PEG8000	20-25 (%(w/v))
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5