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1ehg

;CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S ;

Method: X-RAY DIFFRACTION D_max: 69.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ehg
deposition_date	2000-02-21
title	;CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S ;
keywords	nitric oxide reductase, Cytochrome P450nor, 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	22.23 Å
rg_electron	21.14 Å
i0	32360100.00
molecular_weight	44648.0 kDa
excluded_volume	56282 Å³
envelope_volume	65812 Å³
shell_volume	25445 Å³
envelope_diameter	71.1 Å
shell_rg	28.24 Å
envelope_rg	21.22 Å
shape_rg	21.12 Å
total_rg	22.08 Å
total_atoms	3143
n_residues	399
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	69.7 Å
rg_real	22.10 Å
rg_real_error	0.36 Å
i0_real	3.2360e+07
i0_real_error	4.3210e+05
rg_reciprocal	22.13 Å
i0_reciprocal	32360000.0000
total_estimate	0.8989
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.133
kurtosis	-0.481
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	5909000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYTOCHROME P450NOR
formula_weight	44432.7 kDa
mutation	S286V
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3530

MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTAVALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF

Source

organism	Fusarium oxysporum
ncbi_taxonomy_id	5507
host_organism	Escherichia coli K12

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	387

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6. Citations (2)

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length_a	54.751 Å
length_b	81.860 Å
length_c	85.720 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	1.700 Å
resolution_low	10.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2230

fit	/app/data/saxs_computation/eh/1ehg/1ehg.fit
pddf	/app/data/pr_computation/eh/1ehg/1ehg.pr.out
profile	/app/data/saxs_computation/eh/1ehg/1ehg.dat

;CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S ;

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