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1dso

CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE.

Method: X-RAY DIFFRACTION D_max: 63.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dso
deposition_date	2000-01-07
title	CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE.
keywords	HEME ENZYME, PEROXIDASE, CAVITY MUTANT, LIGAND BINDING, OXIDOREDUCTASE; OXIDOREDUCTASE
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	19.48 Å
rg_electron	18.41 Å
i0	19426700.00
molecular_weight	33747.0 kDa
excluded_volume	42167 Å³
envelope_volume	46393 Å³
shell_volume	20647 Å³
envelope_diameter	64.9 Å
shell_rg	25.12 Å
envelope_rg	18.65 Å
shape_rg	18.38 Å
total_rg	19.38 Å
total_atoms	2390
n_residues	291
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	63.9 Å
rg_real	19.34 Å
rg_real_error	0.36 Å
i0_real	1.9430e+07
i0_real_error	2.5310e+05
rg_reciprocal	19.36 Å
i0_reciprocal	19430000.0000
total_estimate	0.8031
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	63.0 Å
skewness	0.132
kurtosis	-0.400
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	5663000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.812; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYTOCHROME C PEROXIDASE
formula_weight	33245.9 kDa
ec_number	1.11.1.5
mutation	H175G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2494

TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAGALGKTHLKNSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

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6. Citations (1)

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length_a	107.710 Å
length_b	76.830 Å
length_c	51.450 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	2.030 Å
resolution_low	9.100 Å
r_factor	0.1720
r_work	—
r_free	—

fit	/app/data/saxs_computation/ds/1dso/1dso.fit
pddf	/app/data/pr_computation/ds/1dso/1dso.pr.out
profile	/app/data/saxs_computation/ds/1dso/1dso.dat

CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE.

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