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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.

Method: X-RAY DIFFRACTION D_max: 124.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bot
deposition_date	1998-08-05
title	CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.
keywords	KINASE, ALLOSTERIC REGULATION, FRUCTOSE BISPHOSPHATE, 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	39.50 Å
rg_electron	39.43 Å
i0	190689000.00
molecular_weight	111750.0 kDa
excluded_volume	139360 Å³
envelope_volume	172360 Å³
shell_volume	36842 Å³
envelope_diameter	120.2 Å
shell_rg	44.60 Å
envelope_rg	38.29 Å
shape_rg	39.41 Å
total_rg	39.77 Å
total_atoms	7864
n_residues	995
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	124.4 Å
rg_real	39.81 Å
rg_real_error	1.25 Å
i0_real	1.9070e+08
i0_real_error	3.5740e+06
rg_reciprocal	39.63 Å
i0_reciprocal	190700000.0000
total_estimate	0.7726
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	28.0 Å
skewness	0.287
kurtosis	-1.018
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	50550000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.568; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.638; Smooth: 0.698

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (GLYCEROL KINASE)
formula_weight	56162.4 kDa
ec_number	2.7.1.30
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	O,Z
atom_count	7864

TEKKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRSSEVYGQTNIGGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVNYALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAWEEHDE

Source

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

Entity 2 non-polymer

description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
formula_weight	238.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	168.800 Å
length_b	168.800 Å
length_c	202.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	3.050 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2190
r_free	—

fit	/app/data/saxs_computation/bo/1bot/1bot.fit
pddf	/app/data/pr_computation/bo/1bot/1bot.pr.out
profile	/app/data/saxs_computation/bo/1bot/1bot.dat

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.

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