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1a7e

HYDROXOMET MYOHEMERYTHRIN FROM THEMISTE ZOSTERICOLA

Method: X-RAY DIFFRACTION D_max: 50.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a7e
deposition_date	1998-03-12
title	HYDROXOMET MYOHEMERYTHRIN FROM THEMISTE ZOSTERICOLA
keywords	NONHEME IRON OXYGEN CARRIER, 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	14.82 Å
rg_electron	13.72 Å
i0	3900030.00
molecular_weight	13991.0 kDa
excluded_volume	17452 Å³
envelope_volume	18965 Å³
shell_volume	11798 Å³
envelope_diameter	49.9 Å
shell_rg	19.44 Å
envelope_rg	14.11 Å
shape_rg	13.68 Å
total_rg	15.00 Å
total_atoms	1188
n_residues	118
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	50.4 Å
rg_real	14.76 Å
rg_real_error	0.33 Å
i0_real	3.9000e+06
i0_real_error	4.8320e+04
rg_reciprocal	14.77 Å
i0_reciprocal	3900000.0000
total_estimate	0.8640
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	17.2 Å
skewness	0.269
kurtosis	-0.233
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	988700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.752; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MYOHEMERYTHRIN
formula_weight	13801.7 kDa
mutation	L103N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1800

GWEIPEPYVWDESFRVFYEQLDEEHKKIFKGIFDCIRDNSAPNLATLVKVTTNHFTHEEAMMDAAKYSEVVPHKKMHKDFLEKIGGLSAPVDAKNVDYCKEWNVNHIKGTDFKYKGKL

Source

organism	Themiste zostericola
ncbi_taxonomy_id	6437
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	HYDROXY DIIRON-OXO MOIETY
formula_weight	144.7 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	204

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6. Citations (1)

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length_a	41.885 Å
length_b	81.170 Å
length_c	36.685 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	1.800 Å
resolution_low	10.000 Å
r_factor	0.1860
r_work	0.1860
r_free	0.2270

fit	/app/data/saxs_computation/a7/1a7e/1a7e.fit
pddf	/app/data/pr_computation/a7/1a7e/1a7e.pr.out
profile	/app/data/saxs_computation/a7/1a7e/1a7e.dat

HYDROXOMET MYOHEMERYTHRIN FROM THEMISTE ZOSTERICOLA

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