5WVX

Crystal Structure of bifunctional Kunitz type Trypsin /amylase inhibitor (AMTIN) from the tubers of Alocasia macrorrhiza

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-08-19
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	84.340, 84.340, 57.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.340 - 3.003
R-factor	0.2982
Rwork	0.279
R-free	0.31130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ava
RMSD bond length	0.004
RMSD bond angle	0.817
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	EPMR
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.340	3.111
High resolution limit [Å]	3.003	3.003
Rmerge	0.055
Number of reflections	8256
<I/σ(I)>	14.36
Completeness [%]	99.7
Redundancy	5
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	Ammonium sulfate and citrate