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1afa

STRUCTURAL BASIS OF GALACTOSE RECOGNITION IN C-TYPE ANIMAL LECTINS

Method: X-RAY DIFFRACTION D_max: 81.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1afa
deposition_date	1995-11-03
title	STRUCTURAL BASIS OF GALACTOSE RECOGNITION IN C-TYPE ANIMAL LECTINS
keywords	C-TYPE LECTIN, CALCIUM-BINDING PROTEIN, 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	27.28 Å
rg_electron	26.38 Å
i0	46424600.00
molecular_weight	52003.0 kDa
excluded_volume	64700 Å³
envelope_volume	78654 Å³
shell_volume	26013 Å³
envelope_diameter	83.0 Å
shell_rg	32.31 Å
envelope_rg	26.43 Å
shape_rg	26.36 Å
total_rg	27.09 Å
total_atoms	3628
n_residues	462
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	81.2 Å
rg_real	27.15 Å
rg_real_error	0.44 Å
i0_real	4.6420e+07
i0_real_error	6.1110e+05
rg_reciprocal	27.19 Å
i0_reciprocal	46430000.0000
total_estimate	0.7444
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	40.6 Å
skewness	0.030
kurtosis	-0.788
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	8751000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.967; Stabil: 1.000; Sysdev: 0.267; Positv: 1.000; Valcen: 0.996; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MANNOSE-BINDING PROTEIN-A
formula_weight	17025.3 kDa
mutation	E185Q, N187D, H189W, G190Y, S191G, INS(H192, G193, L194, G195, G196)
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	1,2,3
atom_count	4029

AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFSKVKALCSELRGTVAIPRNAEENKAIQEVAKTSAFLGITDEVTEGQFMYVTGGRLTYSNWKKDQPDDWYGHGLGGGEDCVTIVDNGLWNDISCQASHTAVCEFPA

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	methyl beta-D-galactopyranoside
formula_weight	194.2 kDa
src_method	man
entity_count	3

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	9

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	391

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6. Citations (3)

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length_a	80.700 Å
length_b	84.400 Å
length_c	97.500 Å
angle_alpha	90.00 °
angle_beta	104.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	10.000 Å
r_factor	0.2210
r_work	0.2210
r_free	0.2680

fit	/app/data/saxs_computation/af/1afa/1afa.fit
pddf	/app/data/pr_computation/af/1afa/1afa.pr.out
profile	/app/data/saxs_computation/af/1afa/1afa.dat