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1dgp

ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX

Method: X-RAY DIFFRACTION D_max: 124.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dgp
deposition_date	1999-11-24
title	ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX
keywords	SESQUITERPENE CYCLASE, ISOPRENOID BIOSYNTHESIS, LYASE; LYASE
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	37.50 Å
rg_electron	37.49 Å
i0	67562500.00
molecular_weight	67145.0 kDa
excluded_volume	84288 Å³
envelope_volume	113510 Å³
shell_volume	26140 Å³
envelope_diameter	127.1 Å
shell_rg	41.72 Å
envelope_rg	36.81 Å
shape_rg	37.44 Å
total_rg	37.96 Å
total_atoms	4724
n_residues	580
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	124.6 Å
rg_real	37.97 Å
rg_real_error	1.51 Å
i0_real	6.7560e+07
i0_real_error	1.2270e+06
rg_reciprocal	37.69 Å
i0_reciprocal	67540000.0000
total_estimate	0.7002
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	26.7 Å
skewness	0.383
kurtosis	-0.962
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	10690000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.277; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.418; Smooth: 0.851

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ARISTOLOCHENE SYNTHASE
formula_weight	34497.2 kDa
ec_number	4.1.99.7
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4956

TPPPTQWSYLCHPRVKEVQDEVDGYFLENWKFPSFKAVRTFLDAKFSEVTCLYFPLALDDRIHFACRLLTVLFLIDDVLEHMSFADGEAYNNRLIPISRGDVLPDRTKPEEFILYDLWESMRAHDAELANEVLEPTFVFMRAQTDRARLSIHELGHYLEYREKDVGKALLSALMRFSMGLRLSADELQDMKALEANCAKQLSVVNDIYSYDKEEEASRTGHKEGAFLCSAVKVLAEESKLGIPATKRVLWSMTREWETVHDEIVAEKIASPDGCSEAAKAYMKGLEYQMSGNEQWSKTTR

Source

organism	Penicillium roqueforti
ncbi_taxonomy_id	5082
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
formula_weight	222.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
formula_weight	222.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	200

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6. Citations (1)

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length_a	208.200 Å
length_b	208.200 Å
length_c	139.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	2.800 Å
resolution_low	20.000 Å
r_factor	0.2350
r_work	0.2340
r_free	0.2640

fit	/app/data/saxs_computation/dg/1dgp/1dgp.fit
pddf	/app/data/pr_computation/dg/1dgp/1dgp.pr.out
profile	/app/data/saxs_computation/dg/1dgp/1dgp.dat