SAXSdb — 1beu

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1. Structure Basics

entry_id	1beu
deposition_date	1998-05-18
title	TRP SYNTHASE (D60N-IPP-SER) WITH K+
keywords	CARBON-OXYGEN LYASE, MUTATION D60N IN A-SUBUNIT, INDOLE-3-PROPANOL PHOSPHATE IN A-SUBUNIT, L-SERINE IN B-SUBUNIT; CARBON-OXYGEN 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	27.36 Å
rg_electron	26.54 Å
i0	79412400.00
molecular_weight	69849.0 kDa
excluded_volume	87364 Å³
envelope_volume	99627 Å³
shell_volume	31635 Å³
envelope_diameter	96.7 Å
shell_rg	33.75 Å
envelope_rg	26.78 Å
shape_rg	26.53 Å
total_rg	27.29 Å
total_atoms	4906
n_residues	642
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	95.5 Å
rg_real	27.44 Å
rg_real_error	0.63 Å
i0_real	7.9410e+07
i0_real_error	1.1270e+06
rg_reciprocal	27.42 Å
i0_reciprocal	79410000.0000
total_estimate	0.8579
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	29.6 Å
skewness	0.463
kurtosis	-0.228
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0001
highest_alpha	21340000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.733; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	TRYPTOPHAN SYNTHASE
formula_weight	28697.8 kDa
ec_number	4.2.1.20
mutation	CHAIN A, D60N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5233

MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLANGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 polymer

description	TRYPTOPHAN SYNTHASE
formula_weight	42973.0 kDa
ec_number	4.2.1.20
mutation	CHAIN A, D60N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGLI

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 3 non-polymer

description	INDOLE-3-PROPANOL PHOSPHATE
formula_weight	255.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
formula_weight	336.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	327

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6. Citations (1)

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length_a	182.300 Å
length_b	59.700 Å
length_c	67.400 Å
angle_alpha	90.00 °
angle_beta	94.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	8.000 Å
r_factor	0.2190
r_work	0.2190
r_free	0.2780

fit	/app/data/saxs_computation/be/1beu/1beu.fit
pddf	/app/data/pr_computation/be/1beu/1beu.pr.out
profile	/app/data/saxs_computation/be/1beu/1beu.dat

TRP SYNTHASE (D60N-IPP-SER) WITH K+

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)