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1dhy

KKS102 BPHC ENZYME

Method: X-RAY DIFFRACTION D_max: 58.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dhy
deposition_date	1995-07-07
title	KKS102 BPHC ENZYME
keywords	EXTRADIOL TYPE DIOXYGENASE, OXIDOREDUCTASE (OXYGENASE); OXIDOREDUCTASE (OXYGENASE)
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	18.82 Å
rg_electron	17.68 Å
i0	16137300.00
molecular_weight	30525.0 kDa
excluded_volume	38215 Å³
envelope_volume	42205 Å³
shell_volume	19553 Å³
envelope_diameter	58.6 Å
shell_rg	24.32 Å
envelope_rg	17.87 Å
shape_rg	17.67 Å
total_rg	18.67 Å
total_atoms	2153
n_residues	278
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	58.4 Å
rg_real	18.68 Å
rg_real_error	0.27 Å
i0_real	1.6140e+07
i0_real_error	1.8000e+05
rg_reciprocal	18.70 Å
i0_reciprocal	16140000.0000
total_estimate	0.8949
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.8 Å
skewness	0.089
kurtosis	-0.435
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	2762000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE
formula_weight	32151.5 kDa
ec_number	1.13.11.39
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2192

SIERLGYLGFAVKDVPAWDHFLTKSVGLMAAGSAGDAALYRADQRAWRIAVQPGELDDLAYAGLEVDDAAALERMADKLRQAGVAFTRGDEALMQQRKVMGLLCLQDPFGLPLEIYYGPAEIFHEPFLPSAPVSGFVTGDQGIGHFVRCVPDTAKAMAFYTEVLGFVLSDIIDIQMGPETSVPAHFLHCNGRHHTIALAAFPIPKRIHHFMLQANTIDDVGYAFDRLDAAGRITSLLGRHTNDQTLSFYADTPSPMIEVEFGWGPRTVDSSWTVARHSRTAMWGHKSVRGQR

Source

organism	Pseudomonas sp.
ncbi_taxonomy_id	306
host_organism	Escherichia coli

Entity 2 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	39

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6. Citations (1)

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length_a	123.000 Å
length_b	123.000 Å
length_c	110.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	2.300 Å
resolution_low	10.000 Å
r_factor	0.1860
r_work	0.1860
r_free	0.2460

fit	/app/data/saxs_computation/dh/1dhy/1dhy.fit
pddf	/app/data/pr_computation/dh/1dhy/1dhy.pr.out
profile	/app/data/saxs_computation/dh/1dhy/1dhy.dat