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1dmy

COMPLEX BETWEEN MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AND THE TRANSITION STATE ANALOGUE ACETAZOLAMIDE

Method: X-RAY DIFFRACTION D_max: 88.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dmy
deposition_date	1995-10-04
title	COMPLEX BETWEEN MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AND THE TRANSITION STATE ANALOGUE ACETAZOLAMIDE
keywords	PROTON TRANSFER, LYASE (OXO-ACID); LYASE (OXO-ACID)
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	26.72 Å
rg_electron	25.87 Å
i0	50721000.00
molecular_weight	54454.0 kDa
excluded_volume	67519 Å³
envelope_volume	79938 Å³
shell_volume	26154 Å³
envelope_diameter	91.7 Å
shell_rg	32.70 Å
envelope_rg	25.77 Å
shape_rg	25.85 Å
total_rg	26.64 Å
total_atoms	3838
n_residues	474
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	88.9 Å
rg_real	26.79 Å
rg_real_error	0.72 Å
i0_real	5.0720e+07
i0_real_error	7.5590e+05
rg_reciprocal	26.77 Å
i0_reciprocal	50720000.0000
total_estimate	0.6944
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.366
kurtosis	-0.490
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	7575000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 0.199; Positv: 1.000; Valcen: 0.896; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MURINE CARBONIC ANHYDRASE V
formula_weight	28275.9 kDa
ec_number	4.2.1.1
mutation	TRUNCATION OF MITOCHONDRIAL LEADER SEQUENCE AND FIRST 21 RESIDUES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3938

CATGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLMPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSMFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
formula_weight	222.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	100

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6. Citations (2)

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length_a	48.690 Å
length_b	60.370 Å
length_c	60.440 Å
angle_alpha	67.65 °
angle_beta	75.26 °
angle_gamma	75.21 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.450 Å
resolution_low	8.000 Å
r_factor	0.1700
r_work	0.1700
r_free	—

fit	/app/data/saxs_computation/dm/1dmy/1dmy.fit
pddf	/app/data/pr_computation/dm/1dmy/1dmy.pr.out
profile	/app/data/saxs_computation/dm/1dmy/1dmy.dat