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1a6g

CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION

Method: X-RAY DIFFRACTION D_max: 49.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a6g
deposition_date	1998-02-25
title	CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION
keywords	HEME PROTEIN, MODEL COMPOUNDS, OXYGEN STORAGE, LIGAND BINDING GEOMETRY, CONFORMATIONAL SUBSTATES; HEME PROTEIN
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	16.45 Å
rg_electron	15.04 Å
i0	5725230.00
molecular_weight	17853.0 kDa
excluded_volume	22574 Å³
envelope_volume	24448 Å³
shell_volume	13789 Å³
envelope_diameter	49.5 Å
shell_rg	20.81 Å
envelope_rg	15.25 Å
shape_rg	15.00 Å
total_rg	16.23 Å
total_atoms	1259
n_residues	151
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	49.8 Å
rg_real	16.33 Å
rg_real_error	0.25 Å
i0_real	5.7250e+06
i0_real_error	7.0420e+04
rg_reciprocal	16.35 Å
i0_reciprocal	5725000.0000
total_estimate	0.9061
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.095
kurtosis	-0.473
angular_range	— – 0.4850 Å⁻¹
current_alpha	0.0000
highest_alpha	804500.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MYOGLOBIN
formula_weight	17048.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1609

VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGY

Source

organism	Physeter catodon
common_name	sperm whale
ncbi_taxonomy_id	9755

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 non-polymer

description	CARBON MONOXIDE
formula_weight	28.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	184

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6. Citations (1)

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length_a	63.800 Å
length_b	30.630 Å
length_c	34.420 Å
angle_alpha	90.00 °
angle_beta	105.80 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.150 Å
resolution_low	8.000 Å
r_factor	0.1268
r_work	—
r_free	0.1598

fit	/app/data/saxs_computation/a6/1a6g/1a6g.fit
pddf	/app/data/pr_computation/a6/1a6g/1a6g.pr.out
profile	/app/data/saxs_computation/a6/1a6g/1a6g.dat