CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+

Method: X-RAY DIFFRACTION D_max: 55.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aec
deposition_date	1992-02-05
title	CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+
keywords	HYDROLASE; HYDROLASE
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	17.44 Å
rg_electron	16.25 Å
i0	10626600.00
molecular_weight	23769.0 kDa
excluded_volume	29461 Å³
envelope_volume	32129 Å³
shell_volume	16431 Å³
envelope_diameter	57.2 Å
shell_rg	22.45 Å
envelope_rg	16.50 Å
shape_rg	16.24 Å
total_rg	17.24 Å
total_atoms	2036
n_residues	218
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	55.5 Å
rg_real	17.57 Å
rg_real_error	0.11 Å
i0_real	1.0410e+07
i0_real_error	1.0130e+05
rg_reciprocal	17.35 Å
i0_reciprocal	10630000.0000
total_estimate	0.6880
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.5 Å
skewness	0.255
kurtosis	-0.224
angular_range	— – 0.4550 Å⁻¹
current_alpha	8.7320
highest_alpha	2452000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 0.931; Sysdev: 0.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.517

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	78.470 Å
length_b	81.810 Å
length_c	32.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.860 Å
resolution_low	8.000 Å
r_factor	0.1450
r_work	0.1450
r_free	—

description	ACTINIDIN
formula_weight	23570.0 kDa
ec_number	3.4.22.14
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2306

CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
formula_weight	360.4 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	268

fit	/app/data/saxs_computation/ae/1aec/1aec.fit
pddf	/app/data/pr_computation/ae/1aec/1aec.pr.out
profile	/app/data/saxs_computation/ae/1aec/1aec.dat

organism	Actinidia chinensis
ncbi_taxonomy_id	3625