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1ehf

;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: 68.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ehf
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	21.13 Å
i0	32532600.00
molecular_weight	44650.0 kDa
excluded_volume	56264 Å³
envelope_volume	65721 Å³
shell_volume	25392 Å³
envelope_diameter	70.9 Å
shell_rg	28.26 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	68.9 Å
rg_real	22.10 Å
rg_real_error	0.36 Å
i0_real	3.2530e+07
i0_real_error	3.9020e+05
rg_reciprocal	22.13 Å
i0_reciprocal	32530000.0000
total_estimate	0.9007
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.2 Å
skewness	0.135
kurtosis	-0.483
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	6045000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYTOCHROME P450NOR
formula_weight	44434.7 kDa
mutation	S286T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3473

MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTATALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF

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	330

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6. Citations (2)

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length_a	54.559 Å
length_b	81.728 Å
length_c	85.737 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	0.2080
r_work	0.2080
r_free	0.2650

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