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1bin

LEGHEMOGLOBIN A (ACETOMET)

Method: X-RAY DIFFRACTION D_max: 59.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bin
deposition_date	1996-08-23
title	LEGHEMOGLOBIN A (ACETOMET)
keywords	HEME, NITROGEN FIXATION, MULTIGENE FAMILY, 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	20.31 Å
rg_electron	19.07 Å
i0	16071800.00
molecular_weight	31930.0 kDa
excluded_volume	40626 Å³
envelope_volume	46040 Å³
shell_volume	20058 Å³
envelope_diameter	60.7 Å
shell_rg	25.33 Å
envelope_rg	19.13 Å
shape_rg	19.04 Å
total_rg	20.06 Å
total_atoms	2257
n_residues	286
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	59.5 Å
rg_real	20.18 Å
rg_real_error	0.33 Å
i0_real	1.6070e+07
i0_real_error	1.8690e+05
rg_reciprocal	20.21 Å
i0_reciprocal	16070000.0000
total_estimate	0.9099
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.3 Å
skewness	0.075
kurtosis	-0.569
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	3464000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.963

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	LEGHEMOGLOBIN A
formula_weight	15260.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2392

VAFTEKQDALVSSSFEAFKANIPQYSVVFYTSILEKAPAAKDLFSFLANGVDPTNPKLTGHAEKLFALVRDSAGQLKASGTVVADAALGSVHAQKAVTDPQFVVVKEALLKTIKAAVGDKWSDELSRAWEVAYDELAAAIKKA

Source

organism	Glycine max
common_name	soybean
ncbi_taxonomy_id	3847
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	135

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6. Citations (1)

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length_a	34.980 Å
length_b	53.390 Å
length_c	141.730 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2970

fit	/app/data/saxs_computation/bi/1bin/1bin.fit
pddf	/app/data/pr_computation/bi/1bin/1bin.pr.out
profile	/app/data/saxs_computation/bi/1bin/1bin.dat