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9t6x

Higher-dose (676.8 kGy) structure of horse-heart myoglobin at cryogenic temperature

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	9t6x
deposition_date	2025-11-07
title	Higher-dose (676.8 kGy) structure of horse-heart myoglobin at cryogenic temperature
keywords	MYO, Myoglobin, Radiation Damage, Room-temperature crystallography, Metalloproteins, OXYGEN STORAGE; OXYGEN STORAGE
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	16.47 Å
rg_electron	15.02 Å
i0	5548700.00
molecular_weight	17619.0 kDa
excluded_volume	22258 Å³
envelope_volume	24394 Å³
shell_volume	13777 Å³
envelope_diameter	49.2 Å
shell_rg	20.74 Å
envelope_rg	15.22 Å
shape_rg	15.01 Å
total_rg	16.13 Å
total_atoms	1245
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	49.8 Å
rg_real	16.35 Å
rg_real_error	0.26 Å
i0_real	5.5490e+06
i0_real_error	6.3290e+04
rg_reciprocal	16.36 Å
i0_reciprocal	5549000.0000
total_estimate	0.9065
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.096
kurtosis	-0.468
angular_range	— – 0.4850 Å⁻¹
current_alpha	0.0000
highest_alpha	804900.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Myoglobin
formula_weight	17114.7 kDa
ec_number	1.7.-.-,1.11.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1501

MGLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLKKHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGAMTKALELFRNDIAAKYKELGFQG

Source

organism	Equus caballus
common_name	horse
ncbi_taxonomy_id	9796
host_organism	Equus caballus

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	MALONIC ACID
formula_weight	104.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	116

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6. Citations (1)

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length_a	28.484 Å
length_b	35.101 Å
length_c	123.160 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.100 Å
resolution_low	33.757 Å
r_factor	—
r_work	0.1632
r_free	0.2008

fit	/app/data/saxs_computation/t6/9t6x/9t6x.fit
pddf	/app/data/pr_computation/t6/9t6x/9t6x.pr.out
profile	/app/data/saxs_computation/t6/9t6x/9t6x.dat