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1a0u

HEMOGLOBIN (VAL BETA1 MET) MUTANT

Method: X-RAY DIFFRACTION D_max: 70.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0u
deposition_date	1997-12-08
title	HEMOGLOBIN (VAL BETA1 MET) MUTANT
keywords	OXYGEN TRANSPORT; OXYGEN TRANSPORT
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	24.79 Å
rg_electron	23.52 Å
i0	63394400.00
molecular_weight	64519.0 kDa
excluded_volume	81596 Å³
envelope_volume	96119 Å³
shell_volume	32781 Å³
envelope_diameter	70.5 Å
shell_rg	31.58 Å
envelope_rg	23.19 Å
shape_rg	23.51 Å
total_rg	24.43 Å
total_atoms	4558
n_residues	574
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	70.0 Å
rg_real	24.54 Å
rg_real_error	0.22 Å
i0_real	6.3390e+07
i0_real_error	6.9940e+05
rg_reciprocal	24.60 Å
i0_reciprocal	63400000.0000
total_estimate	0.9131
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.3 Å
skewness	0.000
kurtosis	-0.573
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	13700000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HEMOGLOBIN (ALPHA CHAIN)
formula_weight	15150.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4751

VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	HEMOGLOBIN (BETA CHAIN)
formula_weight	15922.3 kDa
mutation	V1M
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	193

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6. Citations (2)

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length_a	97.200 Å
length_b	99.300 Å
length_c	65.900 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	2.140 Å
resolution_low	8.000 Å
r_factor	0.1790
r_work	0.1720
r_free	0.2390

fit	/app/data/saxs_computation/a0/1a0u/1a0u.fit
pddf	/app/data/pr_computation/a0/1a0u/1a0u.pr.out
profile	/app/data/saxs_computation/a0/1a0u/1a0u.dat

HEMOGLOBIN (VAL BETA1 MET) MUTANT

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)