← Back to search

1ecq

E. COLI GLUCARATE DEHYDRATASE BOUND TO 4-DEOXYGLUCARATE

Method: X-RAY DIFFRACTION D_max: 111.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ecq
deposition_date	2000-01-25
title	E. COLI GLUCARATE DEHYDRATASE BOUND TO 4-DEOXYGLUCARATE
keywords	Glucarate Dehydratase Enolase Enzyme Superfamily TIM Barrel (beta/alpha)7beta barrel, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	37.29 Å
rg_electron	36.70 Å
i0	584346000.00
molecular_weight	195330.0 kDa
excluded_volume	243320 Å³
envelope_volume	288450 Å³
shell_volume	62836 Å³
envelope_diameter	112.0 Å
shell_rg	44.84 Å
envelope_rg	36.54 Å
shape_rg	36.70 Å
total_rg	37.13 Å
total_atoms	13734
n_residues	1771
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

▼

3. P(r) Analysis (GNOM)

dmax	111.0 Å
rg_real	37.05 Å
rg_real_error	0.53 Å
i0_real	5.8430e+08
i0_real_error	8.8210e+06
rg_reciprocal	37.20 Å
i0_reciprocal	584400000.0000
total_estimate	0.9046
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	50.2 Å
skewness	0.055
kurtosis	-0.684
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	425300000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.972; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.850

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

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	14643

MSSQFTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPGKITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLGARDDAMGMQYLIPGWTFDNKRPCMVR

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-DEOXYGLUCARATE
formula_weight	192.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	901

▶

6. Citations (2)

▶

length_a	71.108 Å
length_b	84.602 Å
length_c	98.779 Å
angle_alpha	103.46 °
angle_beta	93.97 °
angle_gamma	113.03 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	30.000 Å
r_factor	0.2090
r_work	0.2090
r_free	0.3050

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