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1bab

;HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS ;

Method: X-RAY DIFFRACTION D_max: 69.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bab
deposition_date	1992-05-06
title	;HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS ;
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	24.74 Å
rg_electron	23.47 Å
i0	65172500.00
molecular_weight	65054.0 kDa
excluded_volume	82111 Å³
envelope_volume	96639 Å³
shell_volume	32977 Å³
envelope_diameter	71.6 Å
shell_rg	31.53 Å
envelope_rg	23.18 Å
shape_rg	23.47 Å
total_rg	24.36 Å
total_atoms	4592
n_residues	576
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	69.8 Å
rg_real	24.48 Å
rg_real_error	0.23 Å
i0_real	6.5170e+07
i0_real_error	7.1360e+05
rg_reciprocal	24.54 Å
i0_reciprocal	65180000.0000
total_estimate	0.9122
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.2 Å
skewness	0.002
kurtosis	-0.564
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	15010000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.972; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	HEMOGLOBIN THIONVILLE (DEOXY) (ALPHA CHAIN)
formula_weight	15337.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4862

XMELSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 2 polymer

description	HEMOGLOBIN THIONVILLE (DEOXY) (BETA CHAIN)
formula_weight	15890.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 3 non-polymer

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

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	266

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6. Citations (1)

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length_a	63.200 Å
length_b	83.600 Å
length_c	53.800 Å
angle_alpha	90.00 °
angle_beta	99.30 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.500 Å
resolution_low	— Å
r_factor	0.1570
r_work	—
r_free	—

fit	/app/data/saxs_computation/ba/1bab/1bab.fit
pddf	/app/data/pr_computation/ba/1bab/1bab.pr.out
profile	/app/data/saxs_computation/ba/1bab/1bab.dat

;HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS ;

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)