← Back to search

1aby

CYANOMET RHB1.1 (RECOMBINANT HEMOGLOBIN)

Method: X-RAY DIFFRACTION D_max: 72.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1aby
deposition_date	1997-01-29
title	CYANOMET RHB1.1 (RECOMBINANT HEMOGLOBIN)
keywords	HEME, OXYGEN TRANSPORT, RESPIRATORY PROTEIN, ERYTHROCYTE; OXYGEN TRANSPORT
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.18 Å
rg_electron	23.94 Å
i0	64320700.00
molecular_weight	64725.0 kDa
excluded_volume	81850 Å³
envelope_volume	97777 Å³
shell_volume	32957 Å³
envelope_diameter	73.4 Å
shell_rg	31.92 Å
envelope_rg	23.58 Å
shape_rg	23.93 Å
total_rg	24.86 Å
total_atoms	4572
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

▼

3. P(r) Analysis (GNOM)

dmax	72.4 Å
rg_real	25.00 Å
rg_real_error	0.21 Å
i0_real	6.4320e+07
i0_real_error	7.9910e+05
rg_reciprocal	25.06 Å
i0_reciprocal	64320000.0000
total_estimate	0.7386
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	33.3 Å
skewness	0.043
kurtosis	-0.551
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0001
highest_alpha	12300000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.973; Smooth: 0.987

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	HEMOGLOBIN
formula_weight	30371.8 kDa
mutation	CHAIN A, V1M, CHAIN B, D, V1M, N108K
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4656

MLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRGVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 2 polymer

description	HEMOGLOBIN
formula_weight	15937.3 kDa
mutation	CHAIN A, V1M, CHAIN B, D, V1M, N108K
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

Entity 3 non-polymer

description	CYANIDE ION
formula_weight	26.0 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

▶

6. Citations (1)

▶

length_a	102.540 Å
length_b	115.170 Å
length_c	56.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.1750
r_work	0.1750
r_free	0.2780

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

CYANOMET 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 (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)