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9zmw

Crystal structure of a Iole protein from Brucella melitensis (orthorhombic P form 2)

Method: X-RAY DIFFRACTION D_max: 101.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zmw
deposition_date	2025-12-11
last_revision	2025-12-24
title	Crystal structure of a Iole protein from Brucella melitensis (orthorhombic P form 2)
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	32.33 Å
rg_electron	31.64 Å
i0	161433000.00
molecular_weight	99346.0 kDa
excluded_volume	123500 Å³
envelope_volume	151180 Å³
shell_volume	39825 Å³
envelope_diameter	106.4 Å
shell_rg	38.58 Å
envelope_rg	31.25 Å
shape_rg	31.64 Å
total_rg	32.22 Å
total_atoms	6998
n_residues	899
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	101.8 Å
rg_real	32.25 Å
rg_real_error	0.64 Å
i0_real	1.6140e+08
i0_real_error	2.4010e+06
rg_reciprocal	32.29 Å
i0_reciprocal	161400000.0000
total_estimate	0.7290
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	33.2 Å
skewness	0.204
kurtosis	-0.647
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	55820000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.998; Smooth: 0.920

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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	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	7149

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	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	151

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6. Citations (1)

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length_a	48.515 Å
length_b	72.154 Å
length_c	239.797 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	47.550 Å
r_factor	0.1877
r_work	0.1852
r_free	0.2352

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

Crystal structure of a Iole protein from Brucella melitensis (orthorhombic P form 2)

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