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1eq2

THE CRYSTAL STRUCTURE OF ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE

Method: X-RAY DIFFRACTION D_max: 166.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eq2
deposition_date	2000-03-31
title	THE CRYSTAL STRUCTURE OF ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE
keywords	N-terminal domain Rossmann fold, C-terminal mixed alpha/beta domain, Short-chain dehydrogenase/reductase fold, ISOMERASE; ISOMERASE
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	55.97 Å
rg_electron	56.17 Å
i0	1766720000.00
molecular_weight	345920.0 kDa
excluded_volume	429010 Å³
envelope_volume	643820 Å³
shell_volume	97725 Å³
envelope_diameter	182.4 Å
shell_rg	58.53 Å
envelope_rg	52.81 Å
shape_rg	56.20 Å
total_rg	56.13 Å
total_atoms	24379
n_residues	2960
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	166.4 Å
rg_real	55.96 Å
rg_real_error	1.35 Å
i0_real	1.7670e+09
i0_real_error	3.4220e+07
rg_reciprocal	55.96 Å
i0_reciprocal	1767000000.0000
total_estimate	0.6185
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	65.4 Å
skewness	0.266
kurtosis	-0.475
angular_range	— – 0.1400 Å⁻¹
current_alpha	0.0000
highest_alpha	38370000.0000
n_real_points	29
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 1.000; Sysdev: 0.041; Positv: 1.000; Valcen: 0.999; Smooth: 0.008

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE
formula_weight	34943.0 kDa
ec_number	5.1.3.20
src_method	man
entity_count	10

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J
atom_count	25435

MIIVTGGAGFIGSNIVKALNDKGITDILVVDNLKDGTKFVNLVDLNIADYMDKEDFLIQIMAGEEFGDVEAIFHEGACSSTTEWDGKYMMDNNYQYSKELLHYCLEREIPFLYASSAATYGGRTSDFIESREYEKPLNVYGYSKFLFDEYVRQILPEANSQIVGFRYFNVYGPREGHKGSMASVAFHLNTQLNNGESPKLFEGSENFKRDFVYVGDVADVNLWFLENGVSGIFNLGTGRAESFQAVADATLAYHKKGQIEYIPFPDKLKGRYQAFTQADLTNLRAAGYDKPFKTVAEGVTEYMAWLNRDA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	10

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE-GLUCOSE
formula_weight	589.3 kDa
src_method	syn
entity_count	10

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1056

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6. Citations (2)

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length_a	99.460 Å
length_b	109.760 Å
length_c	181.540 Å
angle_alpha	90.00 °
angle_beta	91.04 °
angle_gamma	90.00 °
z_pdb	20

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	0.2170
r_work	0.2120
r_free	0.2620

fit	/app/data/saxs_computation/eq/1eq2/1eq2.fit
pddf	/app/data/pr_computation/eq/1eq2/1eq2.pr.out
profile	/app/data/saxs_computation/eq/1eq2/1eq2.dat

THE CRYSTAL STRUCTURE OF ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE

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