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1eup

X-RAY CRYSTAL STRUCTURE OF CYTOCHROME P450ERYF WITH ANDROSTENDIONE BOUND

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eup
deposition_date	2000-04-17
title	X-RAY CRYSTAL STRUCTURE OF CYTOCHROME P450ERYF WITH ANDROSTENDIONE BOUND
keywords	cytochrome P450, steroid, androstenedione, cytochrome P450eryF, 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	22.27 Å
rg_electron	20.77 Å
i0	33985200.00
molecular_weight	45633.0 kDa
excluded_volume	57368 Å³
envelope_volume	65809 Å³
shell_volume	25619 Å³
envelope_diameter	68.4 Å
shell_rg	28.08 Å
envelope_rg	20.99 Å
shape_rg	20.77 Å
total_rg	21.65 Å
total_atoms	3224
n_residues	403
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	66.8 Å
rg_real	22.12 Å
rg_real_error	0.30 Å
i0_real	3.3990e+07
i0_real_error	4.1390e+05
rg_reciprocal	22.16 Å
i0_reciprocal	33990000.0000
total_estimate	0.9075
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.095
kurtosis	-0.510
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	6749000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYTOCHROME P450ERYF
formula_weight	44515.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3555

ATVPDLESDSFHVDWYSTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEAARGAFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALISVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRADPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPSQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	4-ANDROSTENE-3-17-DIONE
formula_weight	286.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	331

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6. Citations (1)

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length_a	54.154 Å
length_b	79.114 Å
length_c	99.430 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	2.100 Å
resolution_low	10.000 Å
r_factor	0.1840
r_work	—
r_free	—

fit	/app/data/saxs_computation/eu/1eup/1eup.fit
pddf	/app/data/pr_computation/eu/1eup/1eup.pr.out
profile	/app/data/saxs_computation/eu/1eup/1eup.dat

X-RAY CRYSTAL STRUCTURE OF CYTOCHROME P450ERYF WITH ANDROSTENDIONE BOUND

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