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1cg4

STRUCTURE OF THE MUTANT (R303L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH, GDP, 6-PHOSPHORYL-IMP, AND MG2+

Method: X-RAY DIFFRACTION D_max: 74.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cg4
deposition_date	1999-03-26
title	STRUCTURE OF THE MUTANT (R303L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH, 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	22.53 Å
rg_electron	21.75 Å
i0	39890600.00
molecular_weight	48055.0 kDa
excluded_volume	59836 Å³
envelope_volume	67088 Å³
shell_volume	25398 Å³
envelope_diameter	77.6 Å
shell_rg	29.03 Å
envelope_rg	22.09 Å
shape_rg	21.76 Å
total_rg	22.53 Å
total_atoms	3374
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	74.8 Å
rg_real	22.47 Å
rg_real_error	0.51 Å
i0_real	3.9890e+07
i0_real_error	5.1560e+05
rg_reciprocal	22.49 Å
i0_reciprocal	39890000.0000
total_estimate	0.8806
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.304
kurtosis	-0.315
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	10010000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.824; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (ADENYLOSUCCINATE SYNTHETASE)
formula_weight	47225.6 kDa
ec_number	6.3.4.4
mutation	R303L
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3540

GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGLRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDA

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

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	166

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6. Citations (1)

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length_a	80.210 Å
length_b	80.210 Å
length_c	157.870 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	0.1790
r_free	0.2520

fit	/app/data/saxs_computation/cg/1cg4/1cg4.fit
pddf	/app/data/pr_computation/cg/1cg4/1cg4.pr.out
profile	/app/data/saxs_computation/cg/1cg4/1cg4.dat