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1ehe

;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: 68.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ehe
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	22.20 Å
rg_electron	21.11 Å
i0	32420900.00
molecular_weight	44636.0 kDa
excluded_volume	56237 Å³
envelope_volume	65664 Å³
shell_volume	25405 Å³
envelope_diameter	71.0 Å
shell_rg	28.26 Å
envelope_rg	21.19 Å
shape_rg	21.10 Å
total_rg	22.05 Å
total_atoms	3142
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	68.8 Å
rg_real	22.07 Å
rg_real_error	0.33 Å
i0_real	3.2420e+07
i0_real_error	3.8250e+05
rg_reciprocal	22.10 Å
i0_reciprocal	32420000.0000
total_estimate	0.9012
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.131
kurtosis	-0.486
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	5921000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; 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	44420.7 kDa
ec_number	1.7.99.7
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3441

MASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTASALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF

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	299

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6. Citations (2)

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length_a	54.507 Å
length_b	81.768 Å
length_c	85.759 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	0.2720

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