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1eou

CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE

Method: X-RAY DIFFRACTION D_max: 59.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eou
deposition_date	2000-03-24
title	CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE
keywords	HYDROLASE, CO2 HYDRATION, PROTEIN-INHIBITOR COMPLEX, LYASE; 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	18.55 Å
rg_electron	17.32 Å
i0	15071200.00
molecular_weight	29386.0 kDa
excluded_volume	36825 Å³
envelope_volume	40800 Å³
shell_volume	19129 Å³
envelope_diameter	61.2 Å
shell_rg	24.11 Å
envelope_rg	17.69 Å
shape_rg	17.29 Å
total_rg	18.39 Å
total_atoms	2077
n_residues	258
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	59.3 Å
rg_real	18.41 Å
rg_real_error	0.27 Å
i0_real	1.5070e+07
i0_real_error	1.6100e+05
rg_reciprocal	18.43 Å
i0_reciprocal	15070000.0000
total_estimate	0.8868
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.083
kurtosis	-0.444
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	2731000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CARBONIC ANHYDRASE II (CA II)
formula_weight	29289.1 kDa
ec_number	4.2.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2256

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER
formula_weight	361.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	179

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6. Citations (3)

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length_a	42.275 Å
length_b	41.390 Å
length_c	72.509 Å
angle_alpha	90.00 °
angle_beta	104.11 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	14.990 Å
r_factor	0.1760
r_work	0.1760
r_free	0.2290

fit	/app/data/saxs_computation/eo/1eou/1eou.fit
pddf	/app/data/pr_computation/eo/1eou/1eou.pr.out
profile	/app/data/saxs_computation/eo/1eou/1eou.dat

CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE

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