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1bv3

HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA

Method: X-RAY DIFFRACTION D_max: 59.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bv3
deposition_date	1998-09-22
title	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
keywords	CARBONATE HYDRO-LYASE, 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	18.72 Å
rg_electron	17.46 Å
i0	15104700.00
molecular_weight	29296.0 kDa
excluded_volume	36597 Å³
envelope_volume	41232 Å³
shell_volume	19205 Å³
envelope_diameter	60.7 Å
shell_rg	24.17 Å
envelope_rg	17.80 Å
shape_rg	17.45 Å
total_rg	18.51 Å
total_atoms	2056
n_residues	256
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	59.0 Å
rg_real	18.57 Å
rg_real_error	0.29 Å
i0_real	1.5100e+07
i0_real_error	1.7740e+05
rg_reciprocal	18.60 Å
i0_reciprocal	15100000.0000
total_estimate	0.8903
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.055
kurtosis	-0.456
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	2134000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.869; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (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	2191

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	4-(HYDROXYMERCURY)BENZOIC ACID
formula_weight	338.7 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	UREA
formula_weight	60.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	134

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6. Citations (1)

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length_a	42.820 Å
length_b	42.020 Å
length_c	73.030 Å
angle_alpha	90.00 °
angle_beta	104.26 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.850 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1710
r_free	0.2130

fit	/app/data/saxs_computation/bv/1bv3/1bv3.fit
pddf	/app/data/pr_computation/bv/1bv3/1bv3.pr.out
profile	/app/data/saxs_computation/bv/1bv3/1bv3.dat