1JL8

Complex of alpha-amylase II (TVA II) from Thermoactinomyces vulgaris R-47 with beta-cyclodextrin based on a co-crystallization with methyl beta-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1999-11-30
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	118.019, 120.359, 113.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 3.200
R-factor	0.189 *
Rwork	0.189
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bvz
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.650	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.077	0.269
Total number of observations	73577 *
Number of reflections	23296
<I/σ(I)>	12.1
Completeness [%]	85.1	87.4
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	19 *	MES, methyl beta-cyclodextrin, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	2 (%(w/v))
2	1	reservoir		5 (mM)
3	1	reservoir	MES	40 (mM)	pH6.0
4	1	drop	protein	20 (mg/ml)