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9qev

A native carbonic anhydrase from Caloramator australiacus

Method: X-RAY DIFFRACTION D_max: 70.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qev
deposition_date	2025-03-11
last_revision	2025-12-10
title	A native carbonic anhydrase from Caloramator australiacus
keywords	thermophilic bacteria, thermostability, metalloenzyme, METAL BINDING PROTEIN; METAL BINDING 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	22.67 Å
rg_electron	21.57 Å
i0	52455000.00
molecular_weight	56482.0 kDa
excluded_volume	70619 Å³
envelope_volume	79661 Å³
shell_volume	29206 Å³
envelope_diameter	71.1 Å
shell_rg	29.67 Å
envelope_rg	21.91 Å
shape_rg	21.61 Å
total_rg	22.35 Å
total_atoms	3954
n_residues	507
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	70.2 Å
rg_real	22.51 Å
rg_real_error	0.31 Å
i0_real	5.2460e+07
i0_real_error	6.6640e+05
rg_reciprocal	22.55 Å
i0_reciprocal	52460000.0000
total_estimate	0.8976
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	69.1 Å
skewness	0.090
kurtosis	-0.525
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	14520000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Carbonic anhydrase, family 3
formula_weight	19239.8 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	4562

MEHKYKNHLPKIHETTFVAEGVHIIGDVEIGEDSNIWFNAVLRGDVNSIKIGRGTNIQDNATLHASTGQSPTIIGDYVTVGHNCIIHGCKIGDYSLIGMGSIILDNAEIGEYTIIGAGSLVTQNKKIPPRVLCMGSPAKVIRELTEEEIEYLKNSAKHYIELSKNYRHHHHHH

Source

organism	Caloramator australicus
ncbi_taxonomy_id	515264
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	12

Entity 4 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	577

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6. Citations (1)

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length_a	57.024 Å
length_b	82.847 Å
length_c	98.508 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.110 Å
resolution_low	49.250 Å
r_factor	0.1670
r_work	0.1659
r_free	0.1884

fit	/app/data/saxs_computation/qe/9qev/9qev.fit
pddf	/app/data/pr_computation/qe/9qev/9qev.pr.out
profile	/app/data/saxs_computation/qe/9qev/9qev.dat