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1bjq

THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE

Method: X-RAY DIFFRACTION D_max: 151.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bjq
deposition_date	1998-06-26
title	THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE
keywords	GLYCOPROTEIN, LECTIN, ADENINE, QUATERNARY STRUCTURE, LEGUME LECTIN; GLYCOPROTEIN
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	46.21 Å
rg_electron	46.39 Å
i0	631910000.00
molecular_weight	208180.0 kDa
excluded_volume	260300 Å³
envelope_volume	326230 Å³
shell_volume	62188 Å³
envelope_diameter	158.5 Å
shell_rg	46.60 Å
envelope_rg	46.19 Å
shape_rg	46.36 Å
total_rg	46.51 Å
total_atoms	14698
n_residues	1940
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	151.9 Å
rg_real	46.72 Å
rg_real_error	1.27 Å
i0_real	6.3190e+08
i0_real_error	1.1620e+07
rg_reciprocal	46.21 Å
i0_reciprocal	631500000.0000
total_estimate	0.7953
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	44.7 Å
skewness	0.588
kurtosis	-0.292
angular_range	— – 0.1700 Å⁻¹
current_alpha	0.0000
highest_alpha	60360000.0000
n_real_points	35
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.781; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.032

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	LECTIN
formula_weight	27115.1 kDa
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	14698

ANIQSFSFKNFNSPSFILQGDATVSSGKLQLTKVKENGIPTPSSLGRAFYSSPIQIYDKSTGAVASWATSFTVKISAPSKASFADGIAFALVPVGSEPRRNGGYLGVFDSDVYNNSAQTVAVEFDTLSNSGWDPSMKHIGIDVNSIKSIATVSWDLANGENAEILITYNAATSLLVASLVHPSRRTSYILSERVDITNELPEYVSVGFSATTGLSEGYIETHDVLSWSFASKLPDDSTAEPLDLASYLVRNVL

Source

organism	Vigna unguiculata subsp. cylindrica
common_name	horse gram
ncbi_taxonomy_id	3840
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	ADENINE
formula_weight	135.1 kDa
src_method	syn
entity_count	8

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6. Citations (2)

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length_a	81.377 Å
length_b	116.135 Å
length_c	224.620 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.650 Å
resolution_low	20.000 Å
r_factor	0.2190
r_work	0.2190
r_free	0.2460

fit	/app/data/saxs_computation/bj/1bjq/1bjq.fit
pddf	/app/data/pr_computation/bj/1bjq/1bjq.pr.out
profile	/app/data/saxs_computation/bj/1bjq/1bjq.dat

THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE

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