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1eyn

Structure of mura liganded with the extrinsic fluorescence probe ANS

Method: X-RAY DIFFRACTION D_max: 72.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eyn
deposition_date	2000-05-07
title	Structure of mura liganded with the extrinsic fluorescence probe ANS
keywords	inside-out alpha-beta barrel; L-isoaspartate in position 67, 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	23.31 Å
rg_electron	22.14 Å
i0	34191900.00
molecular_weight	45255.0 kDa
excluded_volume	56862 Å³
envelope_volume	65604 Å³
shell_volume	24619 Å³
envelope_diameter	74.0 Å
shell_rg	28.98 Å
envelope_rg	22.11 Å
shape_rg	22.14 Å
total_rg	22.95 Å
total_atoms	3176
n_residues	418
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	72.8 Å
rg_real	23.25 Å
rg_real_error	0.40 Å
i0_real	3.4190e+07
i0_real_error	4.6000e+05
rg_reciprocal	23.27 Å
i0_reciprocal	34190000.0000
total_estimate	0.9043
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.0 Å
skewness	0.273
kurtosis	-0.458
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	8140000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
formula_weight	44829.4 kDa
ec_number	2.5.1.7
mutation	N67D
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3782

MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDIDTTMKLLTQLGTKVERDGSVWIDASNVNNFSAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHPAFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKGE

Source

organism	Enterobacter cloacae
ncbi_taxonomy_id	550
host_organism	Escherichia coli

Entity 2 non-polymer

description	8-ANILINO-1-NAPHTHALENE SULFONATE
formula_weight	299.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	506

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6. Citations (3)

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length_a	62.100 Å
length_b	66.600 Å
length_c	107.800 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	1.700 Å
resolution_low	29.330 Å
r_factor	—
r_work	0.1800
r_free	0.2100

fit	/app/data/saxs_computation/ey/1eyn/1eyn.fit
pddf	/app/data/pr_computation/ey/1eyn/1eyn.pr.out
profile	/app/data/saxs_computation/ey/1eyn/1eyn.dat

Structure of mura liganded with the extrinsic fluorescence probe ANS

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