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9us7

Crystal Structure of Hemophore HphA from A. baumannii with Cobalt Phthalocyanine

Method: X-RAY DIFFRACTION D_max: 55.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9us7
deposition_date	2025-05-01
title	Crystal Structure of Hemophore HphA from A. baumannii with Cobalt Phthalocyanine
keywords	Hemophore, Phthalocyanine, Beta Barrel, Heme Substitution, METAL TRANSPORT; METAL 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	17.75 Å
rg_electron	16.59 Å
i0	11915000.00
molecular_weight	24586.0 kDa
excluded_volume	30175 Å³
envelope_volume	32687 Å³
shell_volume	16540 Å³
envelope_diameter	57.4 Å
shell_rg	22.69 Å
envelope_rg	16.78 Å
shape_rg	16.55 Å
total_rg	17.61 Å
total_atoms	3338
n_residues	243
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	55.9 Å
rg_real	17.63 Å
rg_real_error	0.24 Å
i0_real	1.1920e+07
i0_real_error	1.2410e+05
rg_reciprocal	17.65 Å
i0_reciprocal	11920000.0000
total_estimate	0.8953
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.155
kurtosis	-0.417
angular_range	— – 0.4500 Å⁻¹
current_alpha	0.0000
highest_alpha	2338000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Transferrin-binding protein-like solute binding protein
formula_weight	24125.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3793

GSMGIDGISSNESNIKIGAAANASHPGGVAAVSVQAAGAPYNAFTGFSSLKGLAQAFAAQGTSNTNVTVGSKTFNISHIPVSAMPPSHSALGNFNFGQVGTQEVYFGEWWKAGDTPASASHTVYYAGDNTNTTVPTAGTATYTVAGINGSGSNLLSGTFTANYGAGTLEGTLTGTGTAVSSLSLDGVAFNPGTAAFAGLATANGTAGIDNSGVVQGQFFGANASALAGIAQFDNVSYNTAFGGAKN

Source

organism	Acinetobacter baumannii AB5075
ncbi_taxonomy_id	1116234
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	Cobalt(II) phthalocyanine
formula_weight	571.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	290

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6. Citations (1)

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length_a	57.264 Å
length_b	62.957 Å
length_c	70.483 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	1.410 Å
resolution_low	46.998 Å
r_factor	—
r_work	0.1289
r_free	0.1597

fit	/app/data/saxs_computation/us/9us7/9us7.fit
pddf	/app/data/pr_computation/us/9us7/9us7.pr.out
profile	/app/data/saxs_computation/us/9us7/9us7.dat

Crystal Structure of Hemophore HphA from A. baumannii with Cobalt Phthalocyanine

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