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1ezz

CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE

Method: X-RAY DIFFRACTION D_max: 111.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ezz
deposition_date	2000-05-12
title	CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE
keywords	aspartate transcarbamoylase, aspartate carbamoyltransferase, cis-proline, cis-amino acid, 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	37.71 Å
rg_electron	37.17 Å
i0	163591000.00
molecular_weight	102900.0 kDa
excluded_volume	128860 Å³
envelope_volume	177400 Å³
shell_volume	40533 Å³
envelope_diameter	112.3 Å
shell_rg	42.66 Å
envelope_rg	36.03 Å
shape_rg	37.19 Å
total_rg	37.49 Å
total_atoms	7230
n_residues	926
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	111.1 Å
rg_real	37.59 Å
rg_real_error	0.96 Å
i0_real	1.6360e+08
i0_real_error	2.6620e+06
rg_reciprocal	37.67 Å
i0_reciprocal	163600000.0000
total_estimate	0.8368
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	63.5 Å
skewness	0.053
kurtosis	-0.896
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	20420000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN
formula_weight	34311.1 kDa
ec_number	2.1.3.2
mutation	P268A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	7477

ANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTYVDAIVMRHPQEGAARLATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPSEYANVKAQFVLRASDLHNAKANMKVLHPLARVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVLNRDLVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN
formula_weight	17143.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	247

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6. Citations (2)

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length_a	129.870 Å
length_b	129.870 Å
length_c	198.340 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	2.700 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1820
r_free	0.2420

fit	/app/data/saxs_computation/ez/1ezz/1ezz.fit
pddf	/app/data/pr_computation/ez/1ezz/1ezz.pr.out
profile	/app/data/saxs_computation/ez/1ezz/1ezz.dat

CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)