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9xoh

Crystal Structure of Redesigned HasAsm Variant (14-mutation) with Iron Tetraphenylporphyrin

Method: X-RAY DIFFRACTION D_max: 118.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xoh
deposition_date	2025-11-13
last_revision	2026-03-04
title	Crystal Structure of Redesigned HasAsm Variant (14-mutation) with Iron Tetraphenylporphyrin
keywords	Heme transport protein, TRANSPORT PROTEIN; TRANSPORT 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	36.43 Å
rg_electron	36.68 Å
i0	91367900.00
molecular_weight	75619.0 kDa
excluded_volume	93551 Å³
envelope_volume	120120 Å³
shell_volume	29824 Å³
envelope_diameter	127.2 Å
shell_rg	38.43 Å
envelope_rg	36.46 Å
shape_rg	36.68 Å
total_rg	36.79 Å
total_atoms	10191
n_residues	698
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	118.3 Å
rg_real	36.94 Å
rg_real_error	1.35 Å
i0_real	9.1370e+07
i0_real_error	1.7310e+06
rg_reciprocal	36.63 Å
i0_reciprocal	91340000.0000
total_estimate	0.5571
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.554
kurtosis	-0.478
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	11220000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.747; Stabil: 0.999; Sysdev: 0.159; Positv: 1.000; Valcen: 0.514; Smooth: 0.010

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Hemophore HasA
formula_weight	18140.4 kDa
mutation	A2S, G13A, H17A, G21T, S42T, Q63N, N79S, D102T, V110N, D112E, A125S, V131E, G145S, D156K
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11181

MSFSVNYDSSFGAYSIADYLTQWASTFGDVNHTNGNVTDANTGGFYGGSLSGSQYAISSTANNVTAFVAGGNLTYTLFSEPAHTLYGQLDSLSFGDGLSGGTTSPYSIQNPEVSFGGLNLSSLQSQGHDGEVHQVVYGLMSGDTSALETALNGILKDYGLSVNSTFDQVAAATAVG

Source

organism	Serratia marcescens
ncbi_taxonomy_id	615
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron
formula_weight	668.6 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	7

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	13

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	596

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6. Citations (1)

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length_a	71.274 Å
length_b	65.357 Å
length_c	74.779 Å
angle_alpha	90.00 °
angle_beta	107.79 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.510 Å
resolution_low	47.100 Å
r_factor	—
r_work	0.2014
r_free	0.2340

fit	/app/data/saxs_computation/xo/9xoh/9xoh.fit
pddf	/app/data/pr_computation/xo/9xoh/9xoh.pr.out
profile	/app/data/saxs_computation/xo/9xoh/9xoh.dat