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1dws

PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)

Method: X-RAY DIFFRACTION D_max: 52.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dws
deposition_date	1999-12-11
title	PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)
keywords	OXYGEN TRANSPORT, RESPIRATORY PROTEIN; 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	16.69 Å
rg_electron	15.14 Å
i0	5745180.00
molecular_weight	17714.0 kDa
excluded_volume	22321 Å³
envelope_volume	24742 Å³
shell_volume	13858 Å³
envelope_diameter	51.5 Å
shell_rg	21.01 Å
envelope_rg	15.42 Å
shape_rg	15.10 Å
total_rg	16.36 Å
total_atoms	1249
n_residues	152
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	52.1 Å
rg_real	16.81 Å
rg_real_error	0.09 Å
i0_real	5.6270e+06
i0_real_error	4.4070e+04
rg_reciprocal	16.61 Å
i0_reciprocal	5745000.0000
total_estimate	0.6951
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	20.3 Å
skewness	0.207
kurtosis	-0.302
angular_range	— – 0.4750 Å⁻¹
current_alpha	9.4830
highest_alpha	924000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 0.929; Sysdev: 0.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.510

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Myoglobin
formula_weight	16983.5 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1400

GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLKKHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGAMTKALELFRNDIAAKYKELGFQG

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CARBON MONOXIDE
formula_weight	28.0 kDa
src_method	syn
entity_count	1

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	146

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6. Citations (4)

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length_a	63.300 Å
length_b	28.800 Å
length_c	35.500 Å
angle_alpha	90.00 °
angle_beta	106.70 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.450 Å
resolution_low	20.000 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2510

fit	/app/data/saxs_computation/dw/1dws/1dws.fit
pddf	/app/data/pr_computation/dw/1dws/1dws.pr.out
profile	/app/data/saxs_computation/dw/1dws/1dws.dat

PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)

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