THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE

Method: X-RAY DIFFRACTION D_max: 84.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1afw
deposition_date	1997-03-15
title	THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE
keywords	THIOLASE, FATTY ACID METABOLISM; THIOLASE
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	26.58 Å
rg_electron	25.55 Å
i0	111749000.00
molecular_weight	83899.0 kDa
excluded_volume	105390 Å³
envelope_volume	119180 Å³
shell_volume	37198 Å³
envelope_diameter	90.5 Å
shell_rg	34.33 Å
envelope_rg	25.87 Å
shape_rg	25.57 Å
total_rg	26.33 Å
total_atoms	5890
n_residues	783
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	84.5 Å
rg_real	26.48 Å
rg_real_error	0.46 Å
i0_real	1.1170e+08
i0_real_error	1.6730e+06
rg_reciprocal	26.51 Å
i0_reciprocal	111800000.0000
total_estimate	0.8933
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.4 Å
skewness	0.279
kurtosis	-0.316
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	33210000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.880; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.972

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	71.170 Å
length_b	92.650 Å
length_c	116.720 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	10.000 Å
r_factor	0.1870
r_work	0.2030
r_free	0.2400

description	3-KETOACETYL-COA THIOLASE
formula_weight	42076.1 kDa
ec_number	2.3.1.16
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	6338

THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	(4R)-2-METHYLPENTANE-2,4-DIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	448

fit	/app/data/saxs_computation/af/1afw/1afw.fit
pddf	/app/data/pr_computation/af/1afw/1afw.pr.out
profile	/app/data/saxs_computation/af/1afw/1afw.dat