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1ez1

STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG, AMPPNP, AND GAR

Method: X-RAY DIFFRACTION D_max: 102.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ez1
deposition_date	2000-05-09
title	STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG, AMPPNP, AND GAR
keywords	purine biosynthesis, transformylase, ATP-grasp, 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	28.87 Å
rg_electron	28.25 Å
i0	123005000.00
molecular_weight	86380.0 kDa
excluded_volume	107510 Å³
envelope_volume	124870 Å³
shell_volume	37183 Å³
envelope_diameter	108.1 Å
shell_rg	35.42 Å
envelope_rg	28.59 Å
shape_rg	28.27 Å
total_rg	28.81 Å
total_atoms	6055
n_residues	778
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	102.6 Å
rg_real	28.97 Å
rg_real_error	1.08 Å
i0_real	1.2300e+08
i0_real_error	2.1940e+06
rg_reciprocal	28.93 Å
i0_reciprocal	123000000.0000
total_estimate	0.8322
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.572
kurtosis	0.139
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	41010000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.649; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.904; Smooth: 0.963

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE 2
formula_weight	42480.5 kDa
ec_number	2.1.2.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6992

MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	GLYCINAMIDE RIBONUCLEOTIDE
formula_weight	284.2 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	3[N-MORPHOLINO]PROPANE SULFONIC ACID
formula_weight	209.3 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	919

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6. Citations (1)

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length_a	61.800 Å
length_b	179.400 Å
length_c	75.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.750 Å
resolution_low	30.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2540

fit	/app/data/saxs_computation/ez/1ez1/1ez1.fit
pddf	/app/data/pr_computation/ez/1ez1/1ez1.pr.out
profile	/app/data/saxs_computation/ez/1ez1/1ez1.dat