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1d9e

STRUCTURE OF E. COLI KDO8P SYNTHASE

Method: X-RAY DIFFRACTION D_max: 94.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d9e
deposition_date	1999-10-27
title	STRUCTURE OF E. COLI KDO8P SYNTHASE
keywords	KDO, KDO8P, TIM BARREL, DAH7P, PEP, A5P, 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	31.64 Å
rg_electron	30.74 Å
i0	207296000.00
molecular_weight	116910.0 kDa
excluded_volume	147390 Å³
envelope_volume	175010 Å³
shell_volume	45594 Å³
envelope_diameter	100.0 Å
shell_rg	39.33 Å
envelope_rg	30.39 Å
shape_rg	30.73 Å
total_rg	31.49 Å
total_atoms	8194
n_residues	1062
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	94.9 Å
rg_real	31.45 Å
rg_real_error	0.61 Å
i0_real	2.0730e+08
i0_real_error	3.0910e+06
rg_reciprocal	31.54 Å
i0_reciprocal	207300000.0000
total_estimate	0.7145
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	38.0 Å
skewness	0.115
kurtosis	-0.648
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	144000000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.967; Stabil: 1.000; Sysdev: 0.169; Positv: 1.000; Valcen: 0.992; Smooth: 0.885

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE
formula_weight	30870.7 kDa
ec_number	4.1.2.16
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8618

MKQKVVSIGDINVANDLPFVLFGGMNVLESRDLAMRICEHYVTVTQKLGIPYVFKASFDKANRSSIHSYRGPGLEEGMKIFQELKQTFGVKIITDVHEPSQAQPVADVVDVIQLPAFLARQTDLVEAMAKTGAVINVKKPQFVSPGQMGNIVDKFKEGGNEKVILCDRGANFGYDNLVVDMLGFSIMKKVSGNSPVIFDVTHALQCRDPFGAASGGRRAQVAELARAGMAVGLAGLFIEAHPDPEHAKCDGPSALPLAKLEPFLKQMKAIDDLVKGFEELDTSK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	10

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	424

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6. Citations (1)

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length_a	228.620 Å
length_b	228.620 Å
length_c	228.620 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	96

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	2.400 Å
resolution_low	22.860 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2390

fit	/app/data/saxs_computation/d9/1d9e/1d9e.fit
pddf	/app/data/pr_computation/d9/1d9e/1d9e.pr.out
profile	/app/data/saxs_computation/d9/1d9e/1d9e.dat

STRUCTURE OF E. COLI KDO8P SYNTHASE

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