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9ww1

Oxy-bound rHb0.1WT beta homotetramer human hemoglobin

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	9ww1
deposition_date	2025-09-22
last_revision	2026-06-03
title	Oxy-bound rHb0.1WT beta homotetramer human hemoglobin
keywords	beta homotetramer, human hemoglobin, OXYGEN BINDING; OXYGEN BINDING
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	24.26 Å
rg_electron	23.08 Å
i0	66342600.00
molecular_weight	66458.0 kDa
excluded_volume	84203 Å³
envelope_volume	97124 Å³
shell_volume	33372 Å³
envelope_diameter	69.1 Å
shell_rg	31.30 Å
envelope_rg	22.98 Å
shape_rg	23.06 Å
total_rg	24.05 Å
total_atoms	4692
n_residues	584
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	24.02 Å
rg_real_error	0.25 Å
i0_real	6.6340e+07
i0_real_error	7.7510e+05
rg_reciprocal	24.08 Å
i0_reciprocal	66340000.0000
total_estimate	0.9099
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.1 Å
skewness	0.020
kurtosis	-0.551
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	27220000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Hemoglobin subunit beta
formula_weight	15911.3 kDa
mutation	V1M, G16A, H116I
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	4865

MHLTPEEKSAVTALWAKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAIHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21

Entity 2 non-polymer

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

Entity 3 non-polymer

description	OXYGEN MOLECULE
formula_weight	32.0 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	5

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	125

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6. Citations (1)

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length_a	53.804 Å
length_b	80.947 Å
length_c	62.683 Å
angle_alpha	90.00 °
angle_beta	90.40 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	22.497 Å
r_factor	—
r_work	0.1946
r_free	0.2329

fit	/app/data/saxs_computation/ww/9ww1/9ww1.fit
pddf	/app/data/pr_computation/ww/9ww1/9ww1.pr.out
profile	/app/data/saxs_computation/ww/9ww1/9ww1.dat