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1ejd

Crystal structure of unliganded mura (type1)

Method: X-RAY DIFFRACTION D_max: 103.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ejd
deposition_date	2000-03-02
title	Crystal structure of unliganded mura (type1)
keywords	inside-out alpha/beta barrel, 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	32.74 Å
rg_electron	31.92 Å
i0	136579000.00
molecular_weight	91469.0 kDa
excluded_volume	113990 Å³
envelope_volume	143300 Å³
shell_volume	36653 Å³
envelope_diameter	104.9 Å
shell_rg	39.54 Å
envelope_rg	31.79 Å
shape_rg	31.91 Å
total_rg	32.57 Å
total_atoms	6396
n_residues	836
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	103.1 Å
rg_real	32.65 Å
rg_real_error	0.62 Å
i0_real	1.3660e+08
i0_real_error	2.0550e+06
rg_reciprocal	32.69 Å
i0_reciprocal	136600000.0000
total_estimate	0.8334
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.2 Å
skewness	0.166
kurtosis	-0.695
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0001
highest_alpha	50080000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.946; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE
formula_weight	44829.4 kDa
ec_number	2.5.1.7
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7522

MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDIDTTMKLLTQLGTKVERDGSVWIDASNVNNFSAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHPAFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKGE

Source

organism	Enterobacter cloacae
ncbi_taxonomy_id	550
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	15

Entity 3 non-polymer

description	CYCLOHEXYLAMMONIUM ION
formula_weight	100.2 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	923

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6. Citations (3)

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length_a	87.177 Å
length_b	156.297 Å
length_c	84.036 Å
angle_alpha	90.00 °
angle_beta	91.63 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.550 Å
resolution_low	17.000 Å
r_factor	—
r_work	0.1850
r_free	0.2070

fit	/app/data/saxs_computation/ej/1ejd/1ejd.fit
pddf	/app/data/pr_computation/ej/1ejd/1ejd.pr.out
profile	/app/data/saxs_computation/ej/1ejd/1ejd.dat

Crystal structure of unliganded mura (type1)

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