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1e8c

Structure of MurE the UDP-N-acetylmuramyl tripeptide synthetase from E. coli

Method: X-RAY DIFFRACTION D_max: 149.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8c
deposition_date	2000-09-19
title	Structure of MurE the UDP-N-acetylmuramyl tripeptide synthetase from E. coli
keywords	LIGASE, PEPTIDOGLYCAN BIOSYNTHESIS; 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	34.20 Å
rg_electron	33.89 Å
i0	208790000.00
molecular_weight	110410.0 kDa
excluded_volume	135450 Å³
envelope_volume	169740 Å³
shell_volume	42356 Å³
envelope_diameter	116.5 Å
shell_rg	39.92 Å
envelope_rg	33.57 Å
shape_rg	33.85 Å
total_rg	34.41 Å
total_atoms	7669
n_residues	967
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	149.8 Å
rg_real	34.25 Å
rg_real_error	2.19 Å
i0_real	2.0880e+08
i0_real_error	4.3800e+06
rg_reciprocal	34.22 Å
i0_reciprocal	208800000.0000
total_estimate	0.7363
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	35.8 Å
skewness	0.374
kurtosis	-0.322
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0001
highest_alpha	71890000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.346; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.530; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE
formula_weight	54401.5 kDa
ec_number	6.3.2.13
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8093

ADRNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFAASVFTNLSRDHLDYHGDMEHYEAAKWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSMEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLMGAFNVSNLLLALATLLALGYPLADLLKTAARLQPVCGRMEVFTAPGKPTVVVDYAHTPDALEKALQAARLHCAGKLWCVFGCGGDRDKGKRPLMGAIAEEFADVAVVTDDNPRTEEPRAIINDILAGMLDAGHAKVMEGRAEAVTCAVMQAKENDVVLVAGKGHEDYQIVGNQRLDYSDRVTVARLLGVIARSHH

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE
formula_weight	879.6 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2,6-DIAMINOPIMELIC ACID
formula_weight	190.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	393

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6. Citations (1)

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length_a	93.465 Å
length_b	99.690 Å
length_c	236.146 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	2.000 Å
resolution_low	46.730 Å
r_factor	0.2020
r_work	0.2020
r_free	0.2300

fit	/app/data/saxs_computation/e8/1e8c/1e8c.fit
pddf	/app/data/pr_computation/e8/1e8c/1e8c.pr.out
profile	/app/data/saxs_computation/e8/1e8c/1e8c.dat