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1a8u

CHLOROPEROXIDASE T/BENZOATE COMPLEX

Method: X-RAY DIFFRACTION D_max: 93.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8u
deposition_date	1998-03-26
title	CHLOROPEROXIDASE T/BENZOATE COMPLEX
keywords	HALOPEROXIDASE, OXIDOREDUCTASE, BENZOATE 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	28.99 Å
rg_electron	28.29 Å
i0	60921200.00
molecular_weight	61138.0 kDa
excluded_volume	76212 Å³
envelope_volume	90402 Å³
shell_volume	27377 Å³
envelope_diameter	95.2 Å
shell_rg	34.57 Å
envelope_rg	28.06 Å
shape_rg	28.29 Å
total_rg	28.92 Å
total_atoms	4333
n_residues	554
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	93.5 Å
rg_real	29.08 Å
rg_real_error	0.68 Å
i0_real	6.0920e+07
i0_real_error	8.4650e+05
rg_reciprocal	29.05 Å
i0_reciprocal	60920000.0000
total_estimate	0.8578
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	27.2 Å
skewness	0.366
kurtosis	-0.669
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	27940000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.796; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.860; Smooth: 0.899

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHLOROPEROXIDASE T
formula_weight	30249.4 kDa
ec_number	1.11.1.10
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5004

PFITVGQENSTSIDLYYEDHGAGQPVVLIHGFPLSGHSWERQSAALLDAGYRVITYDRRGFGQSSQPTTGYDYDTFAADLNTVLETLDLQDAVLVGFSMGTGEVARYVSSYGTARIAKVAFLASLEPFLLKTDDNPDGAAPKEFFDGIVAAVKADRYAFYTGFFNDFYNLDENLGTRISEEAVRNSWNTAASGGFFAAAAAPTTWYTDFRADIPRIDVPALILHGTGDRTLPIENTARVFHKALPSAEYVEVEGAPHGLLWTHAEEVNTALLAFLAK

Source

organism	Streptomyces aureofaciens
ncbi_taxonomy_id	1894
host_organism	Streptomyces lividans

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	BENZOIC ACID
formula_weight	122.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	671

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6. Citations (1)

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length_a	124.870 Å
length_b	124.870 Å
length_c	124.870 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 21 3
int_tables_number	198
crystal_system	—

resolution	1.600 Å
resolution_low	90.000 Å
r_factor	0.1490
r_work	0.1520
r_free	0.1710

fit	/app/data/saxs_computation/a8/1a8u/1a8u.fit
pddf	/app/data/pr_computation/a8/1a8u/1a8u.pr.out
profile	/app/data/saxs_computation/a8/1a8u/1a8u.dat

CHLOROPEROXIDASE T/BENZOATE 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