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1ava

AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED

Method: X-RAY DIFFRACTION D_max: 114.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ava
deposition_date	1997-09-15
title	AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED
keywords	HYDROLASE INHIBITION, ENZYME INHIBITOR COMPLEX; HYDROLASE INHIBITION
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	35.87 Å
rg_electron	35.28 Å
i0	260881000.00
molecular_weight	129910.0 kDa
excluded_volume	161840 Å³
envelope_volume	201970 Å³
shell_volume	47043 Å³
envelope_diameter	112.3 Å
shell_rg	42.50 Å
envelope_rg	34.72 Å
shape_rg	35.26 Å
total_rg	35.81 Å
total_atoms	9184
n_residues	1168
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	114.5 Å
rg_real	35.79 Å
rg_real_error	0.88 Å
i0_real	2.6090e+08
i0_real_error	4.1450e+06
rg_reciprocal	35.84 Å
i0_reciprocal	260900000.0000
total_estimate	0.9074
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	41.6 Å
skewness	0.198
kurtosis	-0.662
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	63220000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.945; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	BARLEY ALPHA-AMYLASE 2(CV MENUET)
formula_weight	44986.4 kDa
ec_number	3.2.1.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9932

QVLFQGFNWESWKHNGGWYNFLMGKVDDIAAAGITHVWLPPASQSVAEQGYMPGRLYDLDASKYGNKAQLKSLIGALHGKGVKAIADIVINHRTAEHKDGRGIYCIFEGGTPDARLDWGPHMICRDDRPYADGTGNPDTGADFGAAPDIDHLNLRVQKELVEWLNWLKADIGFDGWRFDFAKGYSADVAKIYIDRSEPSFAVAEIWTSLAYGGDGKPNLNQDQHRQELVNWVDKVGGKGPATTFDFTTKGILNVAVEGELWRLRGTDGKAPGMIGWWPAKAVTFVDNHDTGSTQHMWPFPSDRVMQGYAYILTHPGTPCIFYDHFFDWGLKEEIDRLVSVRTRHGIHNESKLQIIEADADLYLAEIDGKVIVKLGPRYDVGNLIPGGFKVAAHGNDYAVWEKI

Entity 2 polymer

description	BARLEY ALPHA-AMYLASE/SUBTILISIN INHIBITOR
formula_weight	19908.3 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

ADPPPVHDTDGHELRADANYYVLSANRAHGGGLTMAPGHGRHCPLFVSQDPNGQHDGFPVRITPYGVAPSDKIIRLSTDVRISFRAYTTCLQSTEWHIDSELAAGRRHVITGPVKDPSPSGRENAFRIEKYSGAEVHEYKLMSCGDWCQDLGVFRDLKGGAWFLGATEPYHVVVFKKAPPA

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	8

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	748

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6. Citations (2)

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length_a	74.500 Å
length_b	96.180 Å
length_c	170.150 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	8.000 Å
r_factor	0.2080
r_work	0.2080
r_free	0.2690

fit	/app/data/saxs_computation/av/1ava/1ava.fit
pddf	/app/data/pr_computation/av/1ava/1ava.pr.out
profile	/app/data/saxs_computation/av/1ava/1ava.dat

AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)