SAXSdb — 1abw

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1. Structure Basics

entry_id	1abw
deposition_date	1997-01-29
title	DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)
keywords	HEME, OXYGEN TRANSPORT, RESPIRATORY PROTEIN, ERYTHROCYTE; 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	23.43 Å
i0	63638600.00
molecular_weight	64621.0 kDa
excluded_volume	81774 Å³
envelope_volume	95716 Å³
shell_volume	32719 Å³
envelope_diameter	70.7 Å
shell_rg	31.47 Å
envelope_rg	23.16 Å
shape_rg	23.42 Å
total_rg	24.34 Å
total_atoms	4564
n_residues	575
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	24.49 Å
rg_real_error	0.31 Å
i0_real	6.3640e+07
i0_real_error	7.0100e+05
rg_reciprocal	24.55 Å
i0_reciprocal	63640000.0000
total_estimate	0.9143
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.2 Å
skewness	0.002
kurtosis	-0.573
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	13880000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	HEMOGLOBIN-BASED BLOOD SUBSTITUTE
formula_weight	30371.8 kDa
mutation	CHAIN A IS COMPOSED OF TWO COPIES OF HEMOGLOBIN ALPHA CHAIN JOINED BY AN ADDITIONAL RESIDUE, GLY 142
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5017

MLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRGVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	HEMOGLOBIN-BASED BLOOD SUBSTITUTE
formula_weight	15937.3 kDa
mutation	CHAIN A IS COMPOSED OF TWO COPIES OF HEMOGLOBIN ALPHA CHAIN JOINED BY AN ADDITIONAL RESIDUE, GLY 142
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGKVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	METHIONINE
formula_weight	149.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	LEUCINE
formula_weight	131.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

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

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	373

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6. Citations (2)

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length_a	62.900 Å
length_b	81.980 Å
length_c	53.920 Å
angle_alpha	90.00 °
angle_beta	98.99 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	5.000 Å
r_factor	0.1640
r_work	0.1640
r_free	0.2320

fit	/app/data/saxs_computation/ab/1abw/1abw.fit
pddf	/app/data/pr_computation/ab/1abw/1abw.pr.out
profile	/app/data/saxs_computation/ab/1abw/1abw.dat

DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)