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1a00

HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT

Method: X-RAY DIFFRACTION D_max: 74.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a00
deposition_date	1997-12-08
title	HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) 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	24.83 Å
rg_electron	23.57 Å
i0	63267300.00
molecular_weight	64473.0 kDa
excluded_volume	81533 Å³
envelope_volume	96366 Å³
shell_volume	32784 Å³
envelope_diameter	71.8 Å
shell_rg	31.65 Å
envelope_rg	23.25 Å
shape_rg	23.56 Å
total_rg	24.47 Å
total_atoms	4554
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	74.5 Å
rg_real	24.58 Å
rg_real_error	0.33 Å
i0_real	6.3270e+07
i0_real_error	7.6080e+05
rg_reciprocal	24.64 Å
i0_reciprocal	63270000.0000
total_estimate	0.8263
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.1 Å
skewness	0.004
kurtosis	-0.572
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	14380000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.921; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.000

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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	4770

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	15899.2 kDa
mutation	V1M, W37Y
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPYTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

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	216

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6. Citations (2)

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length_a	84.100 Å
length_b	112.000 Å
length_c	63.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1690
r_free	0.2230

fit	/app/data/saxs_computation/a0/1a00/1a00.fit
pddf	/app/data/pr_computation/a0/1a00/1a00.pr.out
profile	/app/data/saxs_computation/a0/1a00/1a00.dat

HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) 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)