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1ec7

E. COLI GLUCARATE DEHYDRATASE NATIVE ENZYME

Method: X-RAY DIFFRACTION D_max: 110.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ec7
deposition_date	2000-01-25
title	E. COLI GLUCARATE DEHYDRATASE NATIVE ENZYME
keywords	Glucarate Dehydratase Enolase Enzyme Superfamily TIM Barrel (beta/alpha)7beta barrel, 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	37.55 Å
rg_electron	36.91 Å
i0	544919000.00
molecular_weight	189590.0 kDa
excluded_volume	236600 Å³
envelope_volume	283980 Å³
shell_volume	61865 Å³
envelope_diameter	110.5 Å
shell_rg	44.89 Å
envelope_rg	36.60 Å
shape_rg	36.91 Å
total_rg	37.33 Å
total_atoms	13333
n_residues	1728
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	110.7 Å
rg_real	37.30 Å
rg_real_error	0.57 Å
i0_real	5.4490e+08
i0_real_error	7.7730e+06
rg_reciprocal	37.46 Å
i0_reciprocal	545000000.0000
total_estimate	0.9029
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	50.1 Å
skewness	0.043
kurtosis	-0.705
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	213200000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.979; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.803

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLUCARATE DEHYDRATASE
formula_weight	49196.9 kDa
ec_number	4.2.1.40
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	14443

MSSQFTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPGKITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLGARDDAMGMQYLIPGWTFDNKRPCMVR

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1102

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6. Citations (2)

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length_a	71.250 Å
length_b	84.550 Å
length_c	98.920 Å
angle_alpha	103.30 °
angle_beta	94.00 °
angle_gamma	113.10 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	0.1940
r_work	—
r_free	—

fit	/app/data/saxs_computation/ec/1ec7/1ec7.fit
pddf	/app/data/pr_computation/ec/1ec7/1ec7.pr.out
profile	/app/data/saxs_computation/ec/1ec7/1ec7.dat

E. COLI GLUCARATE DEHYDRATASE NATIVE ENZYME

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