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1bvy

COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)

Method: X-RAY DIFFRACTION D_max: 123.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bvy
deposition_date	1998-09-21
title	COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)
keywords	FATTY ACID MONOOXYGENASE, HEMOPROTEIN, FLAVOPROTEIN, ELECTRON TRANSFER, 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	36.07 Å
rg_electron	35.66 Å
i0	213436000.00
molecular_weight	118630.0 kDa
excluded_volume	148580 Å³
envelope_volume	186190 Å³
shell_volume	44573 Å³
envelope_diameter	130.7 Å
shell_rg	40.88 Å
envelope_rg	35.77 Å
shape_rg	35.68 Å
total_rg	35.92 Å
total_atoms	8361
n_residues	1029
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	123.7 Å
rg_real	36.28 Å
rg_real_error	1.08 Å
i0_real	2.1340e+08
i0_real_error	3.2220e+06
rg_reciprocal	36.15 Å
i0_reciprocal	213400000.0000
total_estimate	0.8472
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.5 Å
skewness	0.500
kurtosis	-0.336
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	47150000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.749; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.884; Smooth: 0.880

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (CYTOCHROME P450 BM-3)
formula_weight	52396.7 kDa
ec_number	1.14.14.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9324

TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGI

Source

organism	Bacillus megaterium
ncbi_taxonomy_id	1404
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (CYTOCHROME P450 BM-3)
formula_weight	20800.7 kDa
ec_number	1.14.14.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	F

PSPSTEQSAKKVRKKAENAHNTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDS

Source

organism	Bacillus megaterium
ncbi_taxonomy_id	1404
host_organism	Escherichia coli

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	5

Entity 5 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	947

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6. Citations (1)

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length_a	58.840 Å
length_b	94.680 Å
length_c	209.060 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.030 Å
resolution_low	10.000 Å
r_factor	0.1872
r_work	—
r_free	0.2754

fit	/app/data/saxs_computation/bv/1bvy/1bvy.fit
pddf	/app/data/pr_computation/bv/1bvy/1bvy.pr.out
profile	/app/data/saxs_computation/bv/1bvy/1bvy.dat

COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)

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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)