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1cmy

THE MUTATION BETA99 ASP-TYR STABILIZES Y-A NEW, COMPOSITE QUATERNARY STATE OF HUMAN HEMOGLOBIN

Method: X-RAY DIFFRACTION D_max: 70.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cmy
deposition_date	1992-09-18
title	THE MUTATION BETA99 ASP-TYR STABILIZES Y-A NEW, COMPOSITE QUATERNARY STATE OF HUMAN HEMOGLOBIN
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	24.57 Å
rg_electron	23.30 Å
i0	62878400.00
molecular_weight	64554.0 kDa
excluded_volume	81756 Å³
envelope_volume	94947 Å³
shell_volume	32616 Å³
envelope_diameter	70.5 Å
shell_rg	31.36 Å
envelope_rg	23.14 Å
shape_rg	23.28 Å
total_rg	24.21 Å
total_atoms	4564
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	70.0 Å
rg_real	24.34 Å
rg_real_error	0.24 Å
i0_real	6.2880e+07
i0_real_error	6.8450e+05
rg_reciprocal	24.40 Å
i0_reciprocal	62880000.0000
total_estimate	0.9131
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	68.9 Å
skewness	0.044
kurtosis	-0.542
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	17230000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.971; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4564

VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 2 polymer

description	HEMOGLOBIN YPSILANTI (CARBONMONOXY) (BETA CHAIN)
formula_weight	15938.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVYPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 3 non-polymer

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

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6. Citations (1)

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length_a	93.100 Å
length_b	93.100 Å
length_c	144.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	3.000 Å
resolution_low	— Å
r_factor	0.2690
r_work	—
r_free	—

fit	/app/data/saxs_computation/cm/1cmy/1cmy.fit
pddf	/app/data/pr_computation/cm/1cmy/1cmy.pr.out
profile	/app/data/saxs_computation/cm/1cmy/1cmy.dat

THE MUTATION BETA99 ASP-TYR STABILIZES Y-A NEW, COMPOSITE QUATERNARY STATE OF HUMAN 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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)