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1eir

2,3-DIHYDROXYBIPHENYL-1,2-DIOXYGENASE

Method: X-RAY DIFFRACTION D_max: 59.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eir
deposition_date	2000-02-28
title	2,3-DIHYDROXYBIPHENYL-1,2-DIOXYGENASE
keywords	four repetitions of beta-alpha-beta-beta-beta motifs, OXIDOREDUCTASE; OXIDOREDUCTASE
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	19.11 Å
rg_electron	17.92 Å
i0	17718500.00
molecular_weight	31988.0 kDa
excluded_volume	39984 Å³
envelope_volume	43874 Å³
shell_volume	19996 Å³
envelope_diameter	62.5 Å
shell_rg	24.71 Å
envelope_rg	18.20 Å
shape_rg	17.90 Å
total_rg	18.91 Å
total_atoms	2255
n_residues	289
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	59.7 Å
rg_real	18.97 Å
rg_real_error	0.37 Å
i0_real	1.7720e+07
i0_real_error	2.1370e+05
rg_reciprocal	18.99 Å
i0_reciprocal	17720000.0000
total_estimate	0.8154
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.9 Å
skewness	0.110
kurtosis	-0.398
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	2997000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	2400

SIERLGYLGFAVKDVPAWDHFLTKSVGLMAAGSAGDAALYRADQRAWRIAVQPGELDDLAYAGLEVDDAAALERMADKLRQAGVAFTRGDEALMQQRKVMGLLCLQDPFGLPLEIYYGPAEIFHEPFLPSAPVSGFVTGDQGIGHFVRCVPDTAKAMAFYTEVLGFVLSDIIDIQMGPETSVPAHFLHCNGRHHTIALAAFPIPKRIHHFMLQANTIDDVGYAFDRLDAAGRITSLLGRHTNDQTLSFYADTPSPMIEVEFGWGPRTVDSSWTVARHSRTAMWGHKSVRGQR

Source

organism	Pseudomonas sp.
ncbi_taxonomy_id	307
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 non-polymer

description	BIPHENYL-2,3-DIOL
formula_weight	186.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	145

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6. Citations (3)

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length_a	121.600 Å
length_b	121.600 Å
length_c	108.700 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	2.000 Å
resolution_low	60.000 Å
r_factor	0.1860
r_work	0.1810
r_free	0.2310

fit	/app/data/saxs_computation/ei/1eir/1eir.fit
pddf	/app/data/pr_computation/ei/1eir/1eir.pr.out
profile	/app/data/saxs_computation/ei/1eir/1eir.dat

2,3-DIHYDROXYBIPHENYL-1,2-DIOXYGENASE

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