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1dgl

LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE

Method: X-RAY DIFFRACTION D_max: 85.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dgl
deposition_date	1998-02-10
title	LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE
keywords	LECTIN, SACCHARIDE BINDING, TRIMANNOSIDE; 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	26.13 Å
rg_electron	25.07 Å
i0	45898900.00
molecular_weight	52320.0 kDa
excluded_volume	65251 Å³
envelope_volume	75742 Å³
shell_volume	26045 Å³
envelope_diameter	87.9 Å
shell_rg	31.50 Å
envelope_rg	25.14 Å
shape_rg	25.00 Å
total_rg	25.98 Å
total_atoms	3688
n_residues	474
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	85.5 Å
rg_real	26.24 Å
rg_real_error	0.65 Å
i0_real	4.5900e+07
i0_real_error	6.9290e+05
rg_reciprocal	26.21 Å
i0_reciprocal	45900000.0000
total_estimate	0.8807
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.447
kurtosis	-0.393
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	7905000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.854; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.939; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	LECTIN
formula_weight	25572.3 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3898

ADTIVAVELNSYPNTDIGDPNYPHIGIDIKSIRSKSTARWNMQTGKVGTVHISYNSVAKRLSAVVSYSGSSSTTVSYDVDLNNVLPEWVRVGLSATTGLYKETNTILSWSFTSKLKTNSIADANSLHFSFHQFSQNPKDLILQGDAFTDSDGNLELTKVSSSGDPQGNSVGRALFYAPVHIWEKSAVVASFDATFTFLIKSPDREPADGITFFIANTDTSIPSGSGGRLLGLFPDAN

Entity 2 branched

description	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]methyl alpha-D-mannopyranoside
formula_weight	518.5 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	190

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6. Citations (2)

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length_a	92.110 Å
length_b	92.110 Å
length_c	202.820 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.400 Å
resolution_low	10.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2520

fit	/app/data/saxs_computation/dg/1dgl/1dgl.fit
pddf	/app/data/pr_computation/dg/1dgl/1dgl.pr.out
profile	/app/data/saxs_computation/dg/1dgl/1dgl.dat

LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE

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