1TMQ

STRUCTURE OF TENEBRIO MOLITOR LARVAL ALPHA-AMYLASE IN COMPLEX WITH RAGI BIFUNCTIONAL INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	79.160, 186.870, 111.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.500
R-factor	0.191
Rwork	0.191
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bip
RMSD bond length	0.009 *
RMSD bond angle	1.563 *
Data reduction software	MOSFLM (V. 5.30)
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.284
Total number of observations	78106 *
Number of reflections	28178
<I/σ(I)>	5.5	2.5
Completeness [%]	97.3	89.8
Redundancy	2.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.4 *	4 *	200MM AMMONIUM PHOSPHATE, 100MM TRIS-HCL, PH 8.5, 50% (W/V) 2-METHYL-2,4- PENTANEDIOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate	5 (mM)
2	1	drop		0.1 (mM)
3	1	drop		100 (mM)
4	1	drop	protein	30 (mg/ml)
5	1	reservoir	ammonium phosphate	200 (mM)
6	1	reservoir	Tris-HCl	100 (mM)
7	1	reservoir	MPD	50 (%(w/v))