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1f0k

THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG

Method: X-RAY DIFFRACTION D_max: 119.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0k
deposition_date	2000-05-16
title	THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG
keywords	Rossmann fold, TRANSFERASE; TRANSFERASE
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	34.60 Å
rg_electron	35.27 Å
i0	86620900.00
molecular_weight	75015.0 kDa
excluded_volume	94385 Å³
envelope_volume	122450 Å³
shell_volume	31822 Å³
envelope_diameter	116.2 Å
shell_rg	37.68 Å
envelope_rg	34.91 Å
shape_rg	35.24 Å
total_rg	35.56 Å
total_atoms	5283
n_residues	702
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	119.2 Å
rg_real	34.97 Å
rg_real_error	1.58 Å
i0_real	8.6620e+07
i0_real_error	1.6860e+06
rg_reciprocal	34.74 Å
i0_reciprocal	86600000.0000
total_estimate	0.7976
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.524
kurtosis	-0.538
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	27630000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.632; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.607; Smooth: 0.861

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	UDP-N-ACETYLGLUCOSAMINE-N-ACETYLMURAMYL-(PENTAPEPTIDE) PYROPHOSPHORYL-UNDECAPRENOL N-ACETYLGLUCOSAMINE TRANSFERASE
formula_weight	39061.0 kDa
ec_number	2.4.1.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5579

MMSGQGKRLMVMAGGTGGHVFPGLAVAHHLMAQGWQVRWLGTADRMEADLVPKHGIEIDFIRISGLRGKGIKALIAAPLRIFNAWRQARAIMKAYKPDVVLGMGGYVSGPGGLAAWSLGIPVVLHEQNGIAGLTNKWLAKIATKVMQAFPGAFPNAEVVGNPVRTDVLALPLPQQRLAGREGPVRVLVVGGSQGARILNQTMPQVAAKLGDSVTIWHQSGKGSQQSVEQAYAEAGQPQHKVTEFIDDMAAAYAWADVVVCRSGALTVSEIAAAGLPALFVPFQHKDRQQYWNALPLEKAGAAKIIEQPQLSVDAVANTLAGWSRETLLTMAERARAASIPDATERVANEVSRVARALEHHHHHH

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	296

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6. Citations (1)

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length_a	60.613 Å
length_b	66.356 Å
length_c	67.902 Å
angle_alpha	64.29 °
angle_beta	83.52 °
angle_gamma	65.45 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.900 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.2200
r_free	0.2466

fit	/app/data/saxs_computation/f0/1f0k/1f0k.fit
pddf	/app/data/pr_computation/f0/1f0k/1f0k.pr.out
profile	/app/data/saxs_computation/f0/1f0k/1f0k.dat

THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG

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