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1dxu

HIGH-RESOLUTION X-RAY STUDY OF DEOXY RECOMBINANT HUMAN HEMOGLOBINS SYNTHESIZED FROM BETA-GLOBINS HAVING MUTATED AMINO TERMINI

Method: X-RAY DIFFRACTION D_max: 71.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dxu
deposition_date	1992-05-06
title	HIGH-RESOLUTION X-RAY STUDY OF DEOXY RECOMBINANT HUMAN HEMOGLOBINS SYNTHESIZED FROM BETA-GLOBINS HAVING MUTATED AMINO TERMINI
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	23.51 Å
i0	64470700.00
molecular_weight	64712.0 kDa
excluded_volume	81710 Å³
envelope_volume	96477 Å³
shell_volume	32875 Å³
envelope_diameter	72.3 Å
shell_rg	31.61 Å
envelope_rg	23.20 Å
shape_rg	23.50 Å
total_rg	24.42 Å
total_atoms	4568
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	71.9 Å
rg_real	24.50 Å
rg_real_error	0.10 Å
i0_real	6.2160e+07
i0_real_error	6.1500e+05
rg_reciprocal	24.59 Å
i0_reciprocal	64470000.0000
total_estimate	0.7335
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	33.1 Å
skewness	0.002
kurtosis	-0.559
angular_range	— – 0.3200 Å⁻¹
current_alpha	8.0720
highest_alpha	14810000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 0.915; Sysdev: 0.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4803

VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	HEMOGLOBIN (DEOXY) (BETA CHAIN)
formula_weight	15922.3 kDa
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 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	235

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6. Citations (2)

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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	1.700 Å
resolution_low	6.000 Å
r_factor	0.1600
r_work	—
r_free	—

fit	/app/data/saxs_computation/dx/1dxu/1dxu.fit
pddf	/app/data/pr_computation/dx/1dxu/1dxu.pr.out
profile	/app/data/saxs_computation/dx/1dxu/1dxu.dat

HIGH-RESOLUTION X-RAY STUDY OF DEOXY RECOMBINANT HUMAN HEMOGLOBINS SYNTHESIZED FROM BETA-GLOBINS HAVING MUTATED AMINO TERMINI

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 (2)

7. Files & Curves (10)

Files (7)

Curves (3)