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1ecc

ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH MN-CPRPP AND 5-OXO-NORLEUCINE

Method: X-RAY DIFFRACTION D_max: 92.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ecc
deposition_date	1997-07-09
title	ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH MN-CPRPP AND 5-OXO-NORLEUCINE
keywords	TRANSFERASE, GLUTAMINE AMIDOTRANSFERASE, PURINE BIOSYNTHESIS, GLYCOSYLTRANSFERASE; 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	30.11 Å
rg_electron	29.30 Å
i0	204497000.00
molecular_weight	111210.0 kDa
excluded_volume	137990 Å³
envelope_volume	158060 Å³
shell_volume	43415 Å³
envelope_diameter	98.1 Å
shell_rg	37.66 Å
envelope_rg	29.53 Å
shape_rg	29.35 Å
total_rg	29.80 Å
total_atoms	7801
n_residues	984
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	92.5 Å
rg_real	30.01 Å
rg_real_error	0.46 Å
i0_real	2.0450e+08
i0_real_error	2.9720e+06
rg_reciprocal	30.05 Å
i0_reciprocal	204500000.0000
total_estimate	0.8970
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.9 Å
skewness	0.265
kurtosis	-0.436
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	104800000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.840

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
formula_weight	56422.7 kDa
ec_number	2.4.2.14
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8092

CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGLVSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPYGITLAHNGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEADNIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDENRTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSNPCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREWEDLDIDVVIPIPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIMPGQQLRRKSVRRKLNANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIRFPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAENPDIQQFECSVFNGVYVTKDVDQGYLDFLDTLRNDDAKAVQRQNEVENLEMHNEG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	5-OXO-L-NORLEUCINE
formula_weight	145.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
formula_weight	388.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	291

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6. Citations (1)

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length_a	78.200 Å
length_b	78.200 Å
length_c	308.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.400 Å
resolution_low	25.000 Å
r_factor	0.1760
r_work	0.1760
r_free	0.2650

fit	/app/data/saxs_computation/ec/1ecc/1ecc.fit
pddf	/app/data/pr_computation/ec/1ecc/1ecc.pr.out
profile	/app/data/saxs_computation/ec/1ecc/1ecc.dat