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1bej

INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE

Method: X-RAY DIFFRACTION D_max: 60.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bej
deposition_date	1998-05-16
title	INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE
keywords	PEROXIDASE, OXIDOREDUCTASE; PEROXIDASE
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	19.36 Å
rg_electron	18.28 Å
i0	19090600.00
molecular_weight	33292.0 kDa
excluded_volume	41537 Å³
envelope_volume	45607 Å³
shell_volume	20436 Å³
envelope_diameter	63.0 Å
shell_rg	24.98 Å
envelope_rg	18.55 Å
shape_rg	18.26 Å
total_rg	19.24 Å
total_atoms	2358
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	60.7 Å
rg_real	19.22 Å
rg_real_error	0.30 Å
i0_real	1.9090e+07
i0_real_error	2.0530e+05
rg_reciprocal	19.24 Å
i0_reciprocal	19090000.0000
total_estimate	0.6670
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.7 Å
skewness	0.129
kurtosis	-0.400
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	5597000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 0.998; Sysdev: 0.356; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYTOCHROME C PEROXIDASE
formula_weight	33097.8 kDa
ec_number	1.11.1.5
mutation	MET ILE ADDED AT N-TERMINUS, W191G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2553

LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL

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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	195

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6. Citations (6)

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length_a	104.960 Å
length_b	74.110 Å
length_c	45.090 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	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/be/1bej/1bej.fit
pddf	/app/data/pr_computation/be/1bej/1bej.pr.out
profile	/app/data/saxs_computation/be/1bej/1bej.dat

INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE

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