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1c3u

T. MARITIMA ADENYLOSUCCINATE LYASE

Method: X-RAY DIFFRACTION D_max: 110.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c3u
deposition_date	1999-07-28
title	T. MARITIMA ADENYLOSUCCINATE LYASE
keywords	PURINE 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	35.02 Å
rg_electron	34.56 Å
i0	137559000.00
molecular_weight	95557.0 kDa
excluded_volume	120120 Å³
envelope_volume	155520 Å³
shell_volume	38064 Å³
envelope_diameter	111.7 Å
shell_rg	40.56 Å
envelope_rg	34.07 Å
shape_rg	34.58 Å
total_rg	34.92 Å
total_atoms	6736
n_residues	846
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	110.3 Å
rg_real	34.95 Å
rg_real_error	0.88 Å
i0_real	1.3760e+08
i0_real_error	2.0970e+06
rg_reciprocal	34.99 Å
i0_reciprocal	137600000.0000
total_estimate	0.9114
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	44.1 Å
skewness	0.138
kurtosis	-0.717
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	15040000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.958

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ADENYLOSUCCINATE LYASE
formula_weight	49948.1 kDa
ec_number	4.3.2.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7128

MVERYSLSPMKDLWTEEAKYRRWLEVELAVTRAYEELGMIPKGVTERIRNNAKIDVELFKKIEEKTNHDVVAFVEGIGSMIGEDSRFFHYGLTSSDVLDTANSLALVEAGKILLESLKEFCDVLWEVANRYKHTPTIGRTHGVHAEPTSFGLKVLGWYSEMKRNVQRLERAIEEVSYGKISGAVGNYANVPPEVEEKALSYLGLKPEPVSTQVVPRDRHAFYLSTLAIVAAGIERIAVEIRHLQRTEVLEVEEPFRKGQRGSSAMPHKKNPITCERLTGLSRMMRAYVDPSLENIALWHERDISHSSVERYVFPDATQTLYYMIVTATNVVRNMKVNEERMKKNIDLTKGLVFSQRVLLKLIEKGLTRKEAYDIVQRNALKTWNSEKHFLEYLLEDEEVKKLVTKEELEELFDISYYLKHVDHIFERFEKE

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	392

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6. Citations (1)

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length_a	120.498 Å
length_b	126.213 Å
length_c	169.048 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.300 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.1990
r_free	0.2300

fit	/app/data/saxs_computation/c3/1c3u/1c3u.fit
pddf	/app/data/pr_computation/c3/1c3u/1c3u.pr.out
profile	/app/data/saxs_computation/c3/1c3u/1c3u.dat

T. MARITIMA ADENYLOSUCCINATE LYASE

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