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1con

THE REFINED STRUCTURE OF CADMIUM SUBSTITUTED CONCANAVALIN A AT 2.0 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 62.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1con
deposition_date	1993-03-16
title	THE REFINED STRUCTURE OF CADMIUM SUBSTITUTED CONCANAVALIN A AT 2.0 ANGSTROMS RESOLUTION
keywords	LECTIN(AGGLUTININ); LECTIN(AGGLUTININ)
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	18.55 Å
rg_electron	17.10 Å
i0	12416900.00
molecular_weight	25856.0 kDa
excluded_volume	32081 Å³
envelope_volume	36069 Å³
shell_volume	17576 Å³
envelope_diameter	63.8 Å
shell_rg	23.50 Å
envelope_rg	17.61 Å
shape_rg	17.07 Å
total_rg	18.19 Å
total_atoms	1812
n_residues	237
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	62.4 Å
rg_real	19.03 Å
rg_real_error	0.15 Å
i0_real	1.2320e+07
i0_real_error	9.7970e+04
rg_reciprocal	18.50 Å
i0_reciprocal	12420000.0000
total_estimate	0.6566
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	23.1 Å
skewness	0.437
kurtosis	0.096
angular_range	— – 0.4300 Å⁻¹
current_alpha	6.6680
highest_alpha	2474000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 0.919; Sysdev: 0.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.350

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CONCANAVALIN A
formula_weight	25622.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1956

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Source

organism	Canavalia ensiformis
common_name	jack bean
ncbi_taxonomy_id	3823

Entity 2 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	144

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6. Citations (2)

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length_a	88.700 Å
length_b	86.500 Å
length_c	62.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	0.1710
r_work	0.1710
r_free	—

fit	/app/data/saxs_computation/co/1con/1con.fit
pddf	/app/data/pr_computation/co/1con/1con.pr.out
profile	/app/data/saxs_computation/co/1con/1con.dat