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1dse

CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K

Method: X-RAY DIFFRACTION D_max: 61.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dse
deposition_date	2000-01-07
title	CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K
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	19.41 Å
rg_electron	18.32 Å
i0	19924800.00
molecular_weight	33901.0 kDa
excluded_volume	42256 Å³
envelope_volume	46307 Å³
shell_volume	20610 Å³
envelope_diameter	65.9 Å
shell_rg	25.16 Å
envelope_rg	18.67 Å
shape_rg	18.29 Å
total_rg	19.33 Å
total_atoms	2399
n_residues	292
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	61.1 Å
rg_real	19.28 Å
rg_real_error	0.35 Å
i0_real	1.9920e+07
i0_real_error	2.3000e+05
rg_reciprocal	19.30 Å
i0_reciprocal	19930000.0000
total_estimate	0.8104
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.0 Å
skewness	0.147
kurtosis	-0.371
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	5132000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CYTOCHROME C PEROXIDASE
formula_weight	33245.0 kDa
ec_number	1.11.1.5
mutation	H175G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2719

TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKQFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAGALGKTHLKNSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL

Source

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

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	320

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6. Citations (1)

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length_a	107.258 Å
length_b	73.768 Å
length_c	51.041 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	2.000 Å
resolution_low	19.000 Å
r_factor	0.1960
r_work	—
r_free	—

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