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1cg3

;STRUCTURE OF THE MUTANT (R143L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH HADACIDIN, GDP, 6-PHOSPHORYL-IMP, AND MG2+ ;

Method: X-RAY DIFFRACTION D_max: 72.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cg3
deposition_date	1999-03-26
title	;STRUCTURE OF THE MUTANT (R143L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH HADACIDIN, GDP, 6-PHOSPHORYL-IMP, AND MG2+ ;
keywords	LIGASE, GTP-HYDROLYSING ENZYMES, PURINE 2 NUCLEOTIDE BIOSYNTHESIS, 6-PHOSPORYL- IMP; LIGASE
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	22.52 Å
rg_electron	21.78 Å
i0	40128300.00
molecular_weight	48175.0 kDa
excluded_volume	59950 Å³
envelope_volume	67565 Å³
shell_volume	25534 Å³
envelope_diameter	77.8 Å
shell_rg	29.13 Å
envelope_rg	22.11 Å
shape_rg	21.80 Å
total_rg	22.56 Å
total_atoms	3382
n_residues	431
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	72.7 Å
rg_real	22.89 Å
rg_real_error	0.15 Å
i0_real	3.9510e+07
i0_real_error	4.4750e+05
rg_reciprocal	22.48 Å
i0_reciprocal	40130000.0000
total_estimate	0.6906
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	26.4 Å
skewness	0.380
kurtosis	-0.196
angular_range	— – 0.3550 Å⁻¹
current_alpha	6.4700
highest_alpha	9238000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 0.927; Sysdev: 0.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.561

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (ADENYLOSUCCINATE SYNTHETASE)
formula_weight	47225.6 kDa
ec_number	6.3.4.4
mutation	R143L
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3629

GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVALRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDA

Source

organism	Escherichia coli K12
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	HADACIDIN
formula_weight	119.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	6-O-PHOSPHORYL INOSINE MONOPHOSPHATE
formula_weight	428.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	247

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6. Citations (1)

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length_a	80.940 Å
length_b	80.940 Å
length_c	158.180 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.500 Å
resolution_low	5.000 Å
r_factor	—
r_work	0.1620
r_free	0.2320

fit	/app/data/saxs_computation/cg/1cg3/1cg3.fit
pddf	/app/data/pr_computation/cg/1cg3/1cg3.pr.out
profile	/app/data/saxs_computation/cg/1cg3/1cg3.dat