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1bu7

CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN

Method: X-RAY DIFFRACTION D_max: 118.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bu7
deposition_date	1998-09-14
title	CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN
keywords	FATTY ACID MONOOXYGENASE, HEMOPROTEIN, P450, 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	34.41 Å
rg_electron	34.01 Å
i0	168077000.00
molecular_weight	106280.0 kDa
excluded_volume	133790 Å³
envelope_volume	163960 Å³
shell_volume	40870 Å³
envelope_diameter	130.4 Å
shell_rg	39.74 Å
envelope_rg	34.08 Å
shape_rg	34.01 Å
total_rg	34.43 Å
total_atoms	7484
n_residues	910
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	118.4 Å
rg_real	34.57 Å
rg_real_error	1.33 Å
i0_real	1.6810e+08
i0_real_error	2.5790e+06
rg_reciprocal	34.47 Å
i0_reciprocal	168100000.0000
total_estimate	0.6514
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	36.0 Å
skewness	0.481
kurtosis	-0.331
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	38630000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.742; Stabil: 0.998; Sysdev: 0.122; Positv: 1.000; Valcen: 0.943; Smooth: 0.932

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (CYTOCHROME P450)
formula_weight	52169.5 kDa
ec_number	1.14.14.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8482

TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

Source

organism	Bacillus megaterium
ncbi_taxonomy_id	1404
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	14

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	998

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6. Citations (2)

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length_a	59.380 Å
length_b	151.900 Å
length_c	62.770 Å
angle_alpha	90.00 °
angle_beta	96.02 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.650 Å
resolution_low	10.000 Å
r_factor	0.1970
r_work	—
r_free	0.2510

fit	/app/data/saxs_computation/bu/1bu7/1bu7.fit
pddf	/app/data/pr_computation/bu/1bu7/1bu7.pr.out
profile	/app/data/saxs_computation/bu/1bu7/1bu7.dat

CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN

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