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1avn

HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR

Method: X-RAY DIFFRACTION D_max: 58.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1avn
deposition_date	1997-09-17
title	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
keywords	LYASE, OXO-ACID; LYASE
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	18.60 Å
rg_electron	17.37 Å
i0	14987100.00
molecular_weight	29156.0 kDa
excluded_volume	36389 Å³
envelope_volume	41029 Å³
shell_volume	19202 Å³
envelope_diameter	61.5 Å
shell_rg	24.12 Å
envelope_rg	17.72 Å
shape_rg	17.34 Å
total_rg	18.45 Å
total_atoms	2051
n_residues	257
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	58.6 Å
rg_real	18.46 Å
rg_real_error	0.33 Å
i0_real	1.4990e+07
i0_real_error	1.8640e+05
rg_reciprocal	18.48 Å
i0_reciprocal	14990000.0000
total_estimate	0.8113
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.1 Å
skewness	0.063
kurtosis	-0.442
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	2223000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.854; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	CARBONIC ANHYDRASE II
formula_weight	29157.9 kDa
ec_number	4.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2206

SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	MERCURY (II) ION
formula_weight	200.6 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	AZIDE ION
formula_weight	42.0 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	HISTAMINE
formula_weight	111.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	155

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6. Citations (1)

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length_a	42.610 Å
length_b	41.690 Å
length_c	72.780 Å
angle_alpha	90.00 °
angle_beta	104.24 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1540
r_free	—

fit	/app/data/saxs_computation/av/1avn/1avn.fit
pddf	/app/data/pr_computation/av/1avn/1avn.pr.out
profile	/app/data/saxs_computation/av/1avn/1avn.dat