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1ct9

CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 167.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ct9
deposition_date	1999-08-20
title	CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI
keywords	AMIDOTRANSFERASE, SUBSTRATE CHANNELING, ASPARAGINE BIOSYNTHESIS, LIGASE; 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	58.68 Å
rg_electron	58.87 Å
i0	779168000.00
molecular_weight	229710.0 kDa
excluded_volume	283210 Å³
envelope_volume	401070 Å³
shell_volume	55061 Å³
envelope_diameter	178.2 Å
shell_rg	65.79 Å
envelope_rg	56.26 Å
shape_rg	58.89 Å
total_rg	58.91 Å
total_atoms	15934
n_residues	1982
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	167.3 Å
rg_real	59.05 Å
rg_real_error	1.82 Å
i0_real	7.7920e+08
i0_real_error	1.6670e+07
rg_reciprocal	58.29 Å
i0_reciprocal	778200000.0000
total_estimate	0.6692
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	37.2 Å
skewness	0.174
kurtosis	-1.202
angular_range	— – 0.1350 Å⁻¹
current_alpha	0.0000
highest_alpha	40060000.0000
n_real_points	28
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.378; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.562; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	ASPARAGINE SYNTHETASE B
formula_weight	62575.7 kDa
ec_number	6.3.5.4
mutation	C1A
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	16980

ASIFGVFDIKTDAVELRKKALELSRLMRHRGPDWSGIYASDNAILAHERLSIVDVNAGAQPLYNQQKTHVLAVNGEIYNHQALRAEYGDRYQFQTGSDCEVILALYQEKGPEFLDDLQGMFAFALYDSEKDAYLIGRDHLGIIPLYMGYDEHGQLYVASEMKALVPVCRTIKEFPAGSYLWSQDGEIRSYYHRDWFDYDAVKDNVTDKNELRQALEDSVKSHLMSDVPYGVLLSGGLDSSIISAITKKYAARRVEDQERSEAWWPQLHSFAVGLPGSPDLKAAQEVANHLGTVHHEIHFTVQEGLDAIRDVIYHIETYDVTTIRASTPMYLMSRKIKAMGIKMVLSGEGSDEVFGGYLYFHKAPNAKELHEETVRKLLALHMYDCARANKAMSAWGVEARVPFLDKKFLDVAMRINPQDKMCGNGKMEKHILRECFEAYLPASVAWRQKEQFSDGVGYSWIDTLKEVAAQQVSDQQLETARFRFPYNTPTSKEAYLYREIFEELFPLPSAAECVPGGPSVACSSAKAIEWDEAFKKMDDPSGRAVGVHQSAYK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	URANYL (VI) ION
formula_weight	270.0 kDa
src_method	syn
entity_count	16

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	ADENOSINE MONOPHOSPHATE
formula_weight	347.2 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	GLUTAMINE
formula_weight	146.1 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1046

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6. Citations (1)

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length_a	99.930 Å
length_b	127.100 Å
length_c	204.510 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	30.000 Å
r_factor	0.1970
r_work	0.1970
r_free	0.2970

fit	/app/data/saxs_computation/ct/1ct9/1ct9.fit
pddf	/app/data/pr_computation/ct/1ct9/1ct9.pr.out
profile	/app/data/saxs_computation/ct/1ct9/1ct9.dat