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1cck

;ALTERING SUBSTRATE SPECIFICITY OF CYTOCHROME C PEROXIDASE TOWARDS A SMALL MOLECULAR SUBSTRATE PEROXIDASE BY SUBSTITUTING TYROSINE FOR PHE 202 ;

Method: X-RAY DIFFRACTION D_max: 63.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cck
deposition_date	1998-01-02
title	;ALTERING SUBSTRATE SPECIFICITY OF CYTOCHROME C PEROXIDASE TOWARDS A SMALL MOLECULAR SUBSTRATE PEROXIDASE BY SUBSTITUTING TYROSINE FOR PHE 202 ;
keywords	OXIDOREDUCTASE, PEROXIDASE; 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	19.50 Å
rg_electron	18.42 Å
i0	19517400.00
molecular_weight	33809.0 kDa
excluded_volume	42223 Å³
envelope_volume	46771 Å³
shell_volume	20747 Å³
envelope_diameter	66.5 Å
shell_rg	25.23 Å
envelope_rg	18.73 Å
shape_rg	18.39 Å
total_rg	19.41 Å
total_atoms	2907
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	63.4 Å
rg_real	19.36 Å
rg_real_error	0.18 Å
i0_real	1.9520e+07
i0_real_error	2.0980e+05
rg_reciprocal	19.38 Å
i0_reciprocal	19520000.0000
total_estimate	0.6535
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.144
kurtosis	-0.384
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0143
highest_alpha	6187000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 0.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.999

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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	33241.9 kDa
ec_number	1.11.1.5
mutation	F202Y
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3014

LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPWGAANNVFTNEYYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli BL21(DE3)

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	107

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6. Citations (3)

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length_a	103.500 Å
length_b	73.400 Å
length_c	44.700 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	2.100 Å
resolution_low	5.000 Å
r_factor	0.1840
r_work	0.1840
r_free	—

fit	/app/data/saxs_computation/cc/1cck/1cck.fit
pddf	/app/data/pr_computation/cc/1cck/1cck.pr.out
profile	/app/data/saxs_computation/cc/1cck/1cck.dat

;ALTERING SUBSTRATE SPECIFICITY OF CYTOCHROME C PEROXIDASE TOWARDS A SMALL MOLECULAR SUBSTRATE PEROXIDASE BY SUBSTITUTING TYROSINE FOR PHE 202 ;

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