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1a8s

CHLOROPEROXIDASE F/PROPIONATE COMPLEX

Method: X-RAY DIFFRACTION D_max: 56.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8s
deposition_date	1998-03-27
title	CHLOROPEROXIDASE F/PROPIONATE COMPLEX
keywords	HALOPEROXIDASE, OXIDOREDUCTASE, PROPIONATE COMPLEX; HALOPEROXIDASE
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	18.33 Å
rg_electron	17.10 Å
i0	16517300.00
molecular_weight	29971.0 kDa
excluded_volume	37101 Å³
envelope_volume	40625 Å³
shell_volume	19258 Å³
envelope_diameter	57.0 Å
shell_rg	23.99 Å
envelope_rg	17.39 Å
shape_rg	17.06 Å
total_rg	18.15 Å
total_atoms	2110
n_residues	273
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	56.0 Å
rg_real	18.18 Å
rg_real_error	0.21 Å
i0_real	1.6520e+07
i0_real_error	1.9790e+05
rg_reciprocal	18.20 Å
i0_reciprocal	16520000.0000
total_estimate	0.8965
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.066
kurtosis	-0.445
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	3691000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHLOROPEROXIDASE F
formula_weight	29553.1 kDa
ec_number	1.11.1.10
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2445

TTFTTRDGTQIYYKDWGSGQPIVFSHGWPLNADSWESQMIFLAAQGYRVIAHDRRGHGRSSQPWSGNDMDTYADDLAQLIEHLDLRDAVLFGFSTGGGEVARYIGRHGTARVAKAGLISAVPPLMLKTEANPGGLPMEVFDGIRQASLADRSQLYKDLASGPFFGFNQPGAKSSAGMVDWFWLQGMAAGHKNAYDCIKAFSETDFTEDLKKIDVPTLVVHGDADQVVPIEASGIASAALVKGSTLKIYSGAPHGLTDTHKDQLNADLLAFIKG

Source

organism	Pseudomonas fluorescens
ncbi_taxonomy_id	294
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	PROPANOIC ACID
formula_weight	74.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	335

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6. Citations (1)

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length_a	106.470 Å
length_b	106.470 Å
length_c	106.470 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 2 3
int_tables_number	195
crystal_system	—

resolution	1.800 Å
resolution_low	70.000 Å
r_factor	0.1730
r_work	0.1760
r_free	0.2050

fit	/app/data/saxs_computation/a8/1a8s/1a8s.fit
pddf	/app/data/pr_computation/a8/1a8s/1a8s.pr.out
profile	/app/data/saxs_computation/a8/1a8s/1a8s.dat

CHLOROPEROXIDASE F/PROPIONATE COMPLEX

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