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1eqr

CRYSTAL STRUCTURE OF FREE ASPARTYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 163.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eqr
deposition_date	2000-04-06
title	CRYSTAL STRUCTURE OF FREE ASPARTYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI
keywords	Domains, anti-parallel beta strand, beta barrel, oligomer binding fold, 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	44.97 Å
rg_electron	45.06 Å
i0	585976000.00
molecular_weight	197780.0 kDa
excluded_volume	247310 Å³
envelope_volume	348780 Å³
shell_volume	67098 Å³
envelope_diameter	176.3 Å
shell_rg	47.21 Å
envelope_rg	44.82 Å
shape_rg	45.05 Å
total_rg	45.20 Å
total_atoms	13896
n_residues	1770
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	163.6 Å
rg_real	45.21 Å
rg_real_error	1.92 Å
i0_real	5.8600e+08
i0_real_error	1.2340e+07
rg_reciprocal	44.97 Å
i0_reciprocal	585800000.0000
total_estimate	0.8394
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	51.4 Å
skewness	0.533
kurtosis	0.002
angular_range	— – 0.1750 Å⁻¹
current_alpha	0.0000
highest_alpha	50650000.0000
n_real_points	36
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.708; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.887; Smooth: 0.896

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ASPARTYL-TRNA SYNTHETASE
formula_weight	65996.3 kDa
ec_number	6.1.1.12
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	14323

MRTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFDPDRADALKLASELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLTIINRADVLPLDSNHVNTEEARLKYRYLDLRRPEMAQRLKTRAKITSLVRRFMDDHGFLDIETPMLTKATPEGARDYLVPSRVHKGKFYALPQSPQLFKQLLMMSGFDRYYQIVKCFRDEDLRADRQPEFTQIDVETSFMTAPQVREVMEALVRHLWLEVKGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLKSVEFAVFAGPANDPKGRVAALRVPGGASLTRKQIDEYGNFVKIYGAKGLAYIKVNERAKGLEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKKIVADAMGALRLKVGKDLGLTDESKWAPLWVIDFPMFEDDGEGGLTAMHHPFTSPKDMTAAELKAAPENAVANAYDMVINGYEVGGGSVRIHNGDMQQTVFGILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTMLLTGTDNIRDVIAFPKTTAAACLMTEAPSFANPTALAELSIQVVKKAENN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	427

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6. Citations (1)

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length_a	117.749 Å
length_b	161.958 Å
length_c	131.599 Å
angle_alpha	90.00 °
angle_beta	110.36 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.700 Å
resolution_low	20.000 Å
r_factor	0.2000
r_work	0.1980
r_free	0.2690

fit	/app/data/saxs_computation/eq/1eqr/1eqr.fit
pddf	/app/data/pr_computation/eq/1eqr/1eqr.pr.out
profile	/app/data/saxs_computation/eq/1eqr/1eqr.dat

CRYSTAL STRUCTURE OF FREE ASPARTYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI

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