SAXSdb — 9qez

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1. Structure Basics

entry_id	9qez
deposition_date	2025-03-11
last_revision	2025-12-10
title	Carbonic anhydrase mutant
keywords	thermostability, metal-binding, hyperthermophile, Metal-binding protein, 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	39.57 Å
rg_electron	39.12 Å
i0	458243000.00
molecular_weight	172610.0 kDa
excluded_volume	214860 Å³
envelope_volume	269600 Å³
shell_volume	57112 Å³
envelope_diameter	128.4 Å
shell_rg	45.21 Å
envelope_rg	38.59 Å
shape_rg	39.16 Å
total_rg	39.33 Å
total_atoms	12079
n_residues	1539
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	125.8 Å
rg_real	39.47 Å
rg_real_error	0.95 Å
i0_real	4.5820e+08
i0_real_error	7.5130e+06
rg_reciprocal	39.54 Å
i0_reciprocal	458300000.0000
total_estimate	0.8954
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	40.9 Å
skewness	0.161
kurtosis	-0.700
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	187900000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.856

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	Carbonic anhydrase mutant
formula_weight	20221.8 kDa
src_method	man
entity_count	9

Polymer

type	polypeptide(L)
strand_id	D,B,F,E,H,C,A,I,G
atom_count	12598

MEHKYKNHLPKIHETTFVAEGVHIIGDVEIGEDSNIWFNAVLRGDENSIKIGRGTNIQDNATLHASEVYHEEEIEQSPTIIGDYVTVGHNCIIHGCKIGDYSLIGMGSIILDNAEIGEYTIIGAGSLVTQNKKIPPRVLCMGSPAKVIRELTEEEIEYLKNSAKHNIELSKNYRHHHHHH

Source

organism	Caloramator australicus RC3
ncbi_taxonomy_id	857293
host_organism	Escherichia coli

Entity 2 polymer

description	Peptide
formula_weight	989.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L

WVAVWGDR

Source

organism	unidentified
ncbi_taxonomy_id	32644
host_organism	bacterium

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	12

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	13

Entity 5 non-polymer

description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
formula_weight	238.3 kDa
src_method	syn
entity_count	4

Entity 6 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	508

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6. Citations (1)

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length_a	81.687 Å
length_b	164.962 Å
length_c	165.114 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	36

space_group	P 2 21 21
int_tables_number	18
crystal_system	orthorhombic

resolution	2.100 Å
resolution_low	45.780 Å
r_factor	0.2007
r_work	0.2001
r_free	0.2401

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

Carbonic anhydrase mutant

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 (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)