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1bz1

HEMOGLOBIN (ALPHA + MET) VARIANT

Method: X-RAY DIFFRACTION D_max: 68.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bz1
deposition_date	1998-11-05
title	HEMOGLOBIN (ALPHA + MET) VARIANT
keywords	OXYGEN TRANSPORT, OXYGEN STORAGE-TRANSPORT COMPLEX; OXYGEN STORAGE/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	24.78 Å
rg_electron	23.50 Å
i0	63708200.00
molecular_weight	64718.0 kDa
excluded_volume	81878 Å³
envelope_volume	95968 Å³
shell_volume	32754 Å³
envelope_diameter	70.4 Å
shell_rg	31.55 Å
envelope_rg	23.19 Å
shape_rg	23.50 Å
total_rg	24.40 Å
total_atoms	4572
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	68.1 Å
rg_real	24.52 Å
rg_real_error	0.30 Å
i0_real	6.3710e+07
i0_real_error	6.7980e+05
rg_reciprocal	24.58 Å
i0_reciprocal	63710000.0000
total_estimate	0.6863
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	67.0 Å
skewness	0.005
kurtosis	-0.573
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	13660000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.979; Stabil: 0.999; Sysdev: 0.338; Positv: 1.000; Valcen: 0.971; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (HEMOGLOBIN ALPHA CHAIN)
formula_weight	15281.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4765

MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (HEMOGLOBIN 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
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 (1)

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length_a	63.300 Å
length_b	83.600 Å
length_c	53.800 Å
angle_alpha	90.00 °
angle_beta	99.40 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.590 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1700
r_free	0.2240

fit	/app/data/saxs_computation/bz/1bz1/1bz1.fit
pddf	/app/data/pr_computation/bz/1bz1/1bz1.pr.out
profile	/app/data/saxs_computation/bz/1bz1/1bz1.dat

HEMOGLOBIN (ALPHA + MET) VARIANT

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 (1)

7. Files & Curves (10)

Files (7)

Curves (3)