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9zmu

Crystal structure of an Iole protein from Brucella melitensis (hexagonal P form)

Method: X-RAY DIFFRACTION D_max: 55.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zmu
deposition_date	2025-12-11
last_revision	2025-12-24
title	Crystal structure of an Iole protein from Brucella melitensis (hexagonal P form)
keywords	SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC 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	19.13 Å
rg_electron	17.93 Å
i0	19516800.00
molecular_weight	33044.0 kDa
excluded_volume	41105 Å³
envelope_volume	45756 Å³
shell_volume	20645 Å³
envelope_diameter	55.1 Å
shell_rg	24.81 Å
envelope_rg	18.10 Å
shape_rg	17.92 Å
total_rg	18.86 Å
total_atoms	2329
n_residues	299
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	55.5 Å
rg_real	18.96 Å
rg_real_error	0.22 Å
i0_real	1.9520e+07
i0_real_error	2.2560e+05
rg_reciprocal	18.98 Å
i0_reciprocal	19520000.0000
total_estimate	0.9093
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	23.9 Å
skewness	0.015
kurtosis	-0.570
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	7476000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Iole protein
formula_weight	34076.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2351

MAHHHHHHMILYGTNPIAWSNDDDRSLGAHITLDQCLDEAAKIGFDGIEKGHKFPQEAAALKAVLEPRGLRYVSGWHSLNLLVNSVEEEKAAMQPALDLLKAMGSKVIIVCETSNAIHGDNDKPLQERPVLEDARWEAFGLGVEALAAHAAAQGITLVYHHHMGTIVETEDEIDRLMRFTGPHTRLLLDTGHCLFGRGNPERVAQKHIARVGHIHAKNIRRDIVQDVRDQNLSFLEGVRRGVFTVPGDTEGSVDFVPVLKIAAEHGYQGWLVIEAEQDPDVRNPFEYQSLGLKSLKAFAREAGLDKG

Source

organism	Brucella melitensis biotype 1 (strain ATCC 23456 / CCUG 17765 / NCTC 10094 / 16M)
ncbi_taxonomy_id	224914
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	22

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6. Citations (1)

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length_a	47.806 Å
length_b	47.806 Å
length_c	492.577 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.980 Å
resolution_low	41.400 Å
r_factor	0.2521
r_work	0.2498
r_free	0.2939

fit	/app/data/saxs_computation/zm/9zmu/9zmu.fit
pddf	/app/data/pr_computation/zm/9zmu/9zmu.pr.out
profile	/app/data/saxs_computation/zm/9zmu/9zmu.dat

Crystal structure of an Iole protein from Brucella melitensis (hexagonal P form)

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