1D7F

CRYSTAL STRUCTURE OF ASPARAGINE 233-REPLACED CYCLODEXTRIN GLUCANOTRANSFERASE FROM ALKALOPHILIC BACILLUS SP. 1011 DETERMINED AT 1.9 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	286
Detector technology	DIFFRACTOMETER
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 1
Unit cell lengths	64.860, 74.460, 79.100
Unit cell angles	85.10, 105.00, 100.90

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.156
Rwork	0.156
R-free	0.20300
RMSD bond length	0.015
RMSD bond angle	2.883
Data reduction software	MERGEF
Data scaling software	MERGEF
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.200	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.074	0.215
Number of reflections	103616
Completeness [%]	93.8	33
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	drop consists of equal volume of enzyme and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	15 (mg/ml)
2	1	reservoir	sodium citrate	100 (mM)
3	1	reservoir	PEG3000	20 (%(w/v))
4	1	reservoir	isopropanol	20 (%(v/v))