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1bn7

HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES

Method: X-RAY DIFFRACTION D_max: 59.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bn7
deposition_date	1998-07-31
title	HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
keywords	DEHALOGENASE, ALPHA/BETA-HYDROLASE, DHLA, HYDROLASE; HYDROLASE
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	19.07 Å
rg_electron	17.63 Å
i0	17499100.00
molecular_weight	33026.0 kDa
excluded_volume	41722 Å³
envelope_volume	45614 Å³
shell_volume	20830 Å³
envelope_diameter	58.2 Å
shell_rg	24.76 Å
envelope_rg	17.80 Å
shape_rg	17.62 Å
total_rg	18.63 Å
total_atoms	2340
n_residues	291
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	59.6 Å
rg_real	18.89 Å
rg_real_error	0.26 Å
i0_real	1.7500e+07
i0_real_error	2.3590e+05
rg_reciprocal	18.92 Å
i0_reciprocal	17500000.0000
total_estimate	0.8837
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.7 Å
skewness	0.022
kurtosis	-0.480
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	7122000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.970

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HALOALKANE DEHALOGENASE
formula_weight	33367.1 kDa
ec_number	3.8.1.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2735

MSEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYFFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIACMEFIRPIPTWDEWPEFARETFQAFRTADVGRELIIDQNAFIEGVLPKCVVRPLTEVEMDHYREPFLKPVDREPLWRFPNEIPIAGEPANIVALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNCKTVDIGPGLHYLQEDNPDLIGSEIARWLPGLA

Source

organism	Rhodococcus sp.
ncbi_taxonomy_id	1831
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	369

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6. Citations (1)

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length_a	93.630 Å
length_b	79.890 Å
length_c	42.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.500 Å
resolution_low	50.000 Å
r_factor	0.1580
r_work	0.1580
r_free	0.1780

fit	/app/data/saxs_computation/bn/1bn7/1bn7.fit
pddf	/app/data/pr_computation/bn/1bn7/1bn7.pr.out
profile	/app/data/saxs_computation/bn/1bn7/1bn7.dat

HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES

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