← Back to search

1al6

CHICKEN CITRATE SYNTHASE COMPLEX WITH N-HYDROXYAMIDO-COA AND OXALOACETATE

Method: X-RAY DIFFRACTION D_max: 71.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1al6
deposition_date	1997-06-12
title	CHICKEN CITRATE SYNTHASE COMPLEX WITH N-HYDROXYAMIDO-COA AND OXALOACETATE
keywords	OXO-ACID-LYASE, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	23.26 Å
rg_electron	22.12 Å
i0	39936200.00
molecular_weight	49045.0 kDa
excluded_volume	61421 Å³
envelope_volume	72775 Å³
shell_volume	26862 Å³
envelope_diameter	72.8 Å
shell_rg	29.72 Å
envelope_rg	22.59 Å
shape_rg	22.11 Å
total_rg	23.06 Å
total_atoms	3452
n_residues	435
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	71.5 Å
rg_real	23.15 Å
rg_real_error	0.34 Å
i0_real	3.9940e+07
i0_real_error	5.3170e+05
rg_reciprocal	23.18 Å
i0_reciprocal	39940000.0000
total_estimate	0.9059
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.226
kurtosis	-0.409
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	7250000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.981

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	CITRATE SYNTHASE
formula_weight	48333.1 kDa
ec_number	4.1.3.7
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3595

ASSTNLKDVLASLIPKEQARIKTFRQQHGNTAVGQITVDMSYGGMRGMKGLIYETSVLDPDEGIRFRGFSIPECQKLLPKAGGGEEPLPEGLFWLLVTGQIPTPEQVSWVSKEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSESNFARAYAEGINRTKYWEFVYEDAMDLIAKLPCVAAKIYRNLYRAGSSIGAIDSKLDWSHNFTNMLGYTDPQFTELMRLYLTIHSDHEGGNVSAHTSHLVGSALSDPYLSFAAAMNGLAGPLHGLANQEVLLWLSQLQKDLGADASDEKLRDYIWNTLNSGRVVPGYGHAVLRKTDPRYTCQREFALKHLPSDPMFKLVAQLYKIVPNVLLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALGVLAQLIWSRALGFPLERPKSMSTAGLEKLSAGG

Entity 2 non-polymer

description	OXALOACETATE ION
formula_weight	131.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A
formula_weight	808.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	143

▶

6. Citations (5)

▶

length_a	104.430 Å
length_b	78.480 Å
length_c	58.450 Å
angle_alpha	90.00 °
angle_beta	78.89 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.850 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.1570
r_free	—

fit	/app/data/saxs_computation/al/1al6/1al6.fit
pddf	/app/data/pr_computation/al/1al6/1al6.pr.out
profile	/app/data/saxs_computation/al/1al6/1al6.dat

CHICKEN CITRATE SYNTHASE COMPLEX WITH N-HYDROXYAMIDO-COA AND OXALOACETATE

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