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9zmx

Crystal structure of an Iole protein from Brucella melitensis (cobalt complex)

Method: X-RAY DIFFRACTION D_max: 55.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zmx
deposition_date	2025-12-11
last_revision	2025-12-24
title	Crystal structure of an Iole protein from Brucella melitensis (cobalt complex)
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	19.11 Å
rg_electron	17.93 Å
i0	19735800.00
molecular_weight	33140.0 kDa
excluded_volume	41145 Å³
envelope_volume	45924 Å³
shell_volume	20706 Å³
envelope_diameter	55.1 Å
shell_rg	24.77 Å
envelope_rg	18.10 Å
shape_rg	17.93 Å
total_rg	18.85 Å
total_atoms	2328
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	55.4 Å
rg_real	18.93 Å
rg_real_error	0.23 Å
i0_real	1.9740e+07
i0_real_error	2.1130e+05
rg_reciprocal	18.96 Å
i0_reciprocal	19740000.0000
total_estimate	0.7208
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.017
kurtosis	-0.576
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	7370000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 0.182; Positv: 1.000; Valcen: 0.968; Smooth: 0.997

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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	2378

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	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	50

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6. Citations (1)

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length_a	48.203 Å
length_b	73.739 Å
length_c	81.047 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	2.300 Å
resolution_low	41.430 Å
r_factor	0.1930
r_work	0.1903
r_free	0.2424

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

Crystal structure of an Iole protein from Brucella melitensis (cobalt complex)

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