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1bh3

E1M, A116K MUTANT OF RH. BLASTICA PORIN

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bh3
deposition_date	1998-06-12
title	E1M, A116K MUTANT OF RH. BLASTICA PORIN
keywords	INTEGRAL MEMBRANE PROTEIN, PORIN, PORE EYELET MUTANT, MEMBRANE PROTEIN; MEMBRANE PROTEIN
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	20.67 Å
rg_electron	20.11 Å
i0	17652600.00
molecular_weight	31550.0 kDa
excluded_volume	39216 Å³
envelope_volume	49733 Å³
shell_volume	20489 Å³
envelope_diameter	69.8 Å
shell_rg	27.01 Å
envelope_rg	20.00 Å
shape_rg	20.08 Å
total_rg	21.13 Å
total_atoms	2230
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	68.3 Å
rg_real	20.53 Å
rg_real_error	0.38 Å
i0_real	1.7650e+07
i0_real_error	2.1970e+05
rg_reciprocal	20.56 Å
i0_reciprocal	17650000.0000
total_estimate	0.8645
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.7 Å
skewness	0.078
kurtosis	-0.318
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	2229000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.757; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PORIN
formula_weight	30669.0 kDa
mutation	E1M, A116K
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2383

MISLNGYGRFGLQYVEDRGVGLEDTIISSRLRINIVGTTETDQGVTFGAKLRMQWDDGDAFAGTAGNAAQFWTSYNGVTVSVGNVDTAFDSVALTYDSEMGYEASSFGDAQSSFFKYNSKYDASGALDNYNGIAVTYSISGVNLYLSYVDPDQTVDSSLVTEEFGIAADWSNDMISLAAAYTTDAGGIVDNDIAFVGAAYKFNDAGTVGLNWYDNGLSTAGDQVTLYGNYAFGATTVRAYVSDIDRAGADTAYGIGADYQFAEGVKVSGSVQSGFANETVADVGVRFDF

Source

organism	Rhodobacter blasticus
ncbi_taxonomy_id	1075
host_organism	Escherichia coli

Entity 2 non-polymer

description	(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
formula_weight	306.4 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	142

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6. Citations (3)

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length_a	104.250 Å
length_b	104.250 Å
length_c	124.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	2.190 Å
resolution_low	19.540 Å
r_factor	—
r_work	0.1530
r_free	0.1810

fit	/app/data/saxs_computation/bh/1bh3/1bh3.fit
pddf	/app/data/pr_computation/bh/1bh3/1bh3.pr.out
profile	/app/data/saxs_computation/bh/1bh3/1bh3.dat

E1M, A116K MUTANT OF RH. BLASTICA PORIN

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