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1d0i

CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS

Method: X-RAY DIFFRACTION D_max: 104.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d0i
deposition_date	1999-09-10
title	CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS
keywords	TYPE II DEHYDROQUINASE, SHIKIMATE PATHWAY, DODECAMERIC QUATERNARY STRUCTURE, TETRAHEDRAL SYMMETRY, LYASE; LYASE
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	35.94 Å
rg_electron	35.12 Å
i0	636403000.00
molecular_weight	194640.0 kDa
excluded_volume	239240 Å³
envelope_volume	295330 Å³
shell_volume	65869 Å³
envelope_diameter	105.8 Å
shell_rg	44.69 Å
envelope_rg	34.39 Å
shape_rg	35.08 Å
total_rg	35.81 Å
total_atoms	13681
n_residues	1810
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	104.2 Å
rg_real	35.60 Å
rg_real_error	0.55 Å
i0_real	6.3640e+08
i0_real_error	1.0160e+07
rg_reciprocal	35.81 Å
i0_reciprocal	636500000.0000
total_estimate	0.8931
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	-0.070
kurtosis	-0.558
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	396600000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.895

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TYPE II 3-DEHYDROQUINATE HYDRATASE
formula_weight	16569.6 kDa
ec_number	4.2.1.10
src_method	man
entity_count	12

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J,K,L
atom_count	15962

PRSLANAPIMILNGPNLNLLGQRQPEIYGSDTLADVEALCVKAAAAHGGTVDFRQSNHEGELVDWIHEARLNHCGIVINPAAYSHTSVAILDALNTCDGLPVVEVHISNIHQREPFRHHSYVSQRADGVVAGCGVQGYVFGVERIAALAGAGSARA

Source

organism	Streptomyces coelicolor
ncbi_taxonomy_id	1902
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	16

Entity 3 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	2023

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6. Citations (1)

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length_a	113.200 Å
length_b	137.500 Å
length_c	140.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	48

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	45.030 Å
r_factor	0.1760
r_work	0.1710
r_free	0.2230

fit	/app/data/saxs_computation/d0/1d0i/1d0i.fit
pddf	/app/data/pr_computation/d0/1d0i/1d0i.pr.out
profile	/app/data/saxs_computation/d0/1d0i/1d0i.dat

CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS

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