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1azd

CONCANAVALIN FROM CANAVALIA BRASILIENSIS

Method: X-RAY DIFFRACTION D_max: 85.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1azd
deposition_date	1997-11-16
title	CONCANAVALIN FROM CANAVALIA BRASILIENSIS
keywords	LEGUME LECTIN, LECTIN; LECTIN
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	30.08 Å
rg_electron	28.69 Å
i0	167984000.00
molecular_weight	102630.0 kDa
excluded_volume	128060 Å³
envelope_volume	151480 Å³
shell_volume	42892 Å³
envelope_diameter	87.7 Å
shell_rg	37.05 Å
envelope_rg	28.59 Å
shape_rg	28.65 Å
total_rg	29.53 Å
total_atoms	7236
n_residues	948
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	85.0 Å
rg_real	29.86 Å
rg_real_error	0.40 Å
i0_real	1.6800e+08
i0_real_error	2.4750e+06
rg_reciprocal	29.95 Å
i0_reciprocal	168000000.0000
total_estimate	0.9038
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	38.5 Å
skewness	0.009
kurtosis	-0.692
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	34540000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.989; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.786

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CONBR
formula_weight	25592.4 kDa
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7579

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTEGNLRLTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	343

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6. Citations (1)

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length_a	71.290 Å
length_b	71.650 Å
length_c	190.960 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	3.000 Å
resolution_low	8.000 Å
r_factor	0.1600
r_work	0.1600
r_free	0.2400

fit	/app/data/saxs_computation/az/1azd/1azd.fit
pddf	/app/data/pr_computation/az/1azd/1azd.pr.out
profile	/app/data/saxs_computation/az/1azd/1azd.dat

CONCANAVALIN FROM CANAVALIA BRASILIENSIS

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