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1a59

COLD-ACTIVE CITRATE SYNTHASE

Method: X-RAY DIFFRACTION D_max: 78.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a59
deposition_date	1998-02-20
title	COLD-ACTIVE CITRATE SYNTHASE
keywords	COLD-ACTIVITY; COLD-ACTIVITY
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	22.23 Å
rg_electron	21.14 Å
i0	31705900.00
molecular_weight	42028.0 kDa
excluded_volume	52060 Å³
envelope_volume	63851 Å³
shell_volume	24593 Å³
envelope_diameter	81.1 Å
shell_rg	28.41 Å
envelope_rg	22.46 Å
shape_rg	21.14 Å
total_rg	22.05 Å
total_atoms	2951
n_residues	377
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	78.5 Å
rg_real	22.20 Å
rg_real_error	0.56 Å
i0_real	3.1710e+07
i0_real_error	3.9420e+05
rg_reciprocal	22.21 Å
i0_reciprocal	31710000.0000
total_estimate	0.8498
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.387
kurtosis	-0.020
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	6750000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.697; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.961

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CITRATE SYNTHASE
formula_weight	41749.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2951

TEPTIHKGLAGVTADVTAISKVNSDTNSLLYRGYPVQELAAKCSFEQVAYLLWNSELPNDSELKAFVNFERSHRKLDENVKGAIDLLSTACHPMDVARTAVSVLGANHARAQDSSPEANLEKAMSLLATFPSVVAYDQRRRRGEELIEPREDLDYSANFLWMTFGEEAAPEVVEAFNVSMILYAEHSFNASTFTARVITSTLADLHSAVTGAIGALKGPLHGGANEAVMHTFEEIGIRKDESLDEAATRSKAWMVDALAQKKKVMGFGHRVYKNGDSRVPTMKSALDAMIKHYDRPEMLGLYNGLEAAMEEAKQIKPNLDYPAGPTYNLMGFDTEMFTPLFIAARITGWTAHIMEQVADNALIRPLSEYNGPEQRQVP

Source

organism	Antarctic bacterium DS2-3R
ncbi_taxonomy_id	56673
host_organism	Escherichia coli

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	70.800 Å
length_b	70.800 Å
length_c	307.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	2.090 Å
resolution_low	100.000 Å
r_factor	0.1840
r_work	0.1840
r_free	0.2360

fit	/app/data/saxs_computation/a5/1a59/1a59.fit
pddf	/app/data/pr_computation/a5/1a59/1a59.pr.out
profile	/app/data/saxs_computation/a5/1a59/1a59.dat

COLD-ACTIVE CITRATE 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