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1bhq

MAC-1 I DOMAIN CADMIUM COMPLEX

Method: X-RAY DIFFRACTION D_max: 78.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bhq
deposition_date	1998-06-10
title	MAC-1 I DOMAIN CADMIUM COMPLEX
keywords	CELL ADHESION, INTEGRIN, I DOMAIN; CELL ADHESION
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	25.73 Å
rg_electron	25.03 Å
i0	31770400.00
molecular_weight	43663.0 kDa
excluded_volume	54806 Å³
envelope_volume	65760 Å³
shell_volume	22544 Å³
envelope_diameter	78.7 Å
shell_rg	31.43 Å
envelope_rg	24.91 Å
shape_rg	25.02 Å
total_rg	25.82 Å
total_atoms	3063
n_residues	378
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	78.6 Å
rg_real	25.81 Å
rg_real_error	0.49 Å
i0_real	3.1770e+07
i0_real_error	4.3380e+05
rg_reciprocal	25.79 Å
i0_reciprocal	31770000.0000
total_estimate	0.8770
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.376
kurtosis	-0.627
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8069000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.801

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CD11B
formula_weight	21663.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	1,2
atom_count	3200

SDIAFLIDGSGSIIPHDFRRMKEFVSTVMEQLKKSKTLFSLMQYSEEFRIHFTFKEFQNNPNPRSLVKPITQLLGRTHTATGIRKVVRELFNITNGARKNAFKILVVITDGEKFGDPLGYEDVIPEADREGVIRYVIGVGDAFRSEKSRQELNTIASKPPRDHVFQVNNFEALKTIQNQLREKIFAIEG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	ACETYL GROUP
formula_weight	44.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	137

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6. Citations (1)

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length_a	48.420 Å
length_b	122.390 Å
length_c	75.360 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.700 Å
resolution_low	10.000 Å
r_factor	0.1750
r_work	0.1750
r_free	—

fit	/app/data/saxs_computation/bh/1bhq/1bhq.fit
pddf	/app/data/pr_computation/bh/1bhq/1bhq.pr.out
profile	/app/data/saxs_computation/bh/1bhq/1bhq.dat

MAC-1 I DOMAIN CADMIUM COMPLEX

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