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1dwr

MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO

Method: X-RAY DIFFRACTION D_max: 52.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dwr
deposition_date	1999-12-11
title	MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO
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	16.72 Å
rg_electron	15.17 Å
i0	5747930.00
molecular_weight	17714.0 kDa
excluded_volume	22321 Å³
envelope_volume	24921 Å³
shell_volume	13929 Å³
envelope_diameter	51.7 Å
shell_rg	21.05 Å
envelope_rg	15.43 Å
shape_rg	15.13 Å
total_rg	16.39 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	52.2 Å
rg_real	16.62 Å
rg_real_error	0.30 Å
i0_real	5.7480e+06
i0_real_error	6.6520e+04
rg_reciprocal	16.63 Å
i0_reciprocal	5748000.0000
total_estimate	0.8191
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.0 Å
skewness	0.123
kurtosis	-0.431
angular_range	— – 0.4750 Å⁻¹
current_alpha	0.0000
highest_alpha	917300.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.000

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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	1388

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	132

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6. Citations (4)

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length_a	63.600 Å
length_b	28.800 Å
length_c	35.600 Å
angle_alpha	90.00 °
angle_beta	106.50 °
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	0.2110
r_work	0.2110
r_free	0.2550

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

MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO

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