SAXSdb — 9sgy

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1. Structure Basics

entry_id	9sgy
deposition_date	2025-08-23
title	S315I KatG mutant one heme
keywords	Catalase, Peoxidase, Enzyme, Heme, METAL BINDING PROTEIN; METAL BINDING PROTEIN
method	ELECTRON MICROSCOPY

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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	35.24 Å
rg_electron	34.45 Å
i0	288368000.00
molecular_weight	136910.0 kDa
excluded_volume	171030 Å³
envelope_volume	214260 Å³
shell_volume	50960 Å³
envelope_diameter	115.2 Å
shell_rg	41.77 Å
envelope_rg	34.15 Å
shape_rg	34.45 Å
total_rg	34.95 Å
total_atoms	9676
n_residues	1265
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	112.2 Å
rg_real	35.12 Å
rg_real_error	0.69 Å
i0_real	2.8840e+08
i0_real_error	4.3640e+06
rg_reciprocal	35.20 Å
i0_reciprocal	288400000.0000
total_estimate	0.8997
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	42.4 Å
skewness	0.189
kurtosis	-0.543
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0001
highest_alpha	92550000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.899

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Catalase-peroxidase
formula_weight	84095.3 kDa
ec_number	1.11.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	9676

HHHHHHNTSGSGGGGGRLBPRGSMSENLYFQGMPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITIGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	man
entity_count	1

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.340 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	2.34 Å
resolution_method	—
num_particles	201107

fit	/app/data/saxs_computation/sg/9sgy/9sgy.fit
pddf	/app/data/pr_computation/sg/9sgy/9sgy.pr.out
profile	/app/data/saxs_computation/sg/9sgy/9sgy.dat

S315I KatG mutant one heme

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)