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1eeh

UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE

Method: X-RAY DIFFRACTION D_max: 71.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eeh
deposition_date	2000-01-31
title	UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
keywords	LIGASE, PEPTIDOGLYCAN SYNTHESIS, MURD, ADP-FORMING ENZYME; 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	23.96 Å
rg_electron	22.92 Å
i0	38361700.00
molecular_weight	46885.0 kDa
excluded_volume	58369 Å³
envelope_volume	69404 Å³
shell_volume	25290 Å³
envelope_diameter	73.4 Å
shell_rg	29.76 Å
envelope_rg	22.85 Å
shape_rg	22.93 Å
total_rg	23.69 Å
total_atoms	3286
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	71.3 Å
rg_real	23.85 Å
rg_real_error	0.39 Å
i0_real	3.8360e+07
i0_real_error	5.1100e+05
rg_reciprocal	23.88 Å
i0_reciprocal	38360000.0000
total_estimate	0.9168
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.7 Å
skewness	0.164
kurtosis	-0.616
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	11990000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.979; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
formula_weight	46889.2 kDa
ec_number	6.3.2.9
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3472

ADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLNDEWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVTTLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNVTEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHLNHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGLPHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYLNGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQFKNFEQRGNEFARLAKELG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
formula_weight	750.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	186

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6. Citations (3)

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length_a	58.840 Å
length_b	63.280 Å
length_c	114.910 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	13.000 Å
r_factor	0.2260
r_work	0.2190
r_free	0.2650

fit	/app/data/saxs_computation/ee/1eeh/1eeh.fit
pddf	/app/data/pr_computation/ee/1eeh/1eeh.pr.out
profile	/app/data/saxs_computation/ee/1eeh/1eeh.dat

UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE

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