HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES

Method: X-RAY DIFFRACTION D_max: 58.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bn6
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	19.09 Å
rg_electron	17.62 Å
i0	17474800.00
molecular_weight	32967.0 kDa
excluded_volume	41655 Å³
envelope_volume	45886 Å³
shell_volume	20909 Å³
envelope_diameter	58.3 Å
shell_rg	24.79 Å
envelope_rg	17.84 Å
shape_rg	17.61 Å
total_rg	18.65 Å
total_atoms	2336
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	58.3 Å
rg_real	18.91 Å
rg_real_error	0.24 Å
i0_real	1.7470e+07
i0_real_error	2.0890e+05
rg_reciprocal	18.93 Å
i0_reciprocal	17480000.0000
total_estimate	0.8930
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.022
kurtosis	-0.476
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	6913000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.880; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	93.520 Å
length_b	79.970 Å
length_c	43.160 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	0.1670
r_work	0.1670
r_free	0.1740

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

type	polypeptide(L)
strand_id	A
atom_count	2712

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Rhodococcus sp.
ncbi_taxonomy_id	1831
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	329

fit	/app/data/saxs_computation/bn/1bn6/1bn6.fit
pddf	/app/data/pr_computation/bn/1bn6/1bn6.pr.out
profile	/app/data/saxs_computation/bn/1bn6/1bn6.dat