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1cyn

CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN

Method: X-RAY DIFFRACTION D_max: 53.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cyn
deposition_date	1995-05-22
title	CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
keywords	ISOMERASE-IMMUNOSUPPRESSANT COMPLEX, CYCLOSPORIN, ISOMERASE, ROTAMASE; ISOMERASE/IMMUNOSUPPRESSANT
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	16.50 Å
rg_electron	15.28 Å
i0	7302850.00
molecular_weight	20876.0 kDa
excluded_volume	26677 Å³
envelope_volume	29312 Å³
shell_volume	15725 Å³
envelope_diameter	53.6 Å
shell_rg	21.81 Å
envelope_rg	15.68 Å
shape_rg	15.23 Å
total_rg	16.63 Å
total_atoms	1474
n_residues	180
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	53.2 Å
rg_real	16.36 Å
rg_real_error	0.24 Å
i0_real	7.3030e+06
i0_real_error	7.3160e+04
rg_reciprocal	16.37 Å
i0_reciprocal	7303000.0000
total_estimate	0.7989
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	22.1 Å
skewness	0.098
kurtosis	-0.343
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	2384000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.798; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
formula_weight	19692.6 kDa
ec_number	5.2.1.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1710

GPKVTVKVYFDLRIGDEDVGRVIFGLFGKTVPKTVDNFVALATGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKLKHYGPGWVSMANAGKDTNGSQFFITTVKTAWLDGKHVVFGKVLEGMEVVRKVESTKTDSRDKPLKDVIIADCGKIEVEKPFAIAKE

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	CYCLOSPORIN A
formula_weight	1236.6 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

SLLVTAGLVLA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	196

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6. Citations (3)

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length_a	37.460 Å
length_b	46.944 Å
length_c	115.442 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	1.850 Å
resolution_low	8.000 Å
r_factor	0.1600
r_work	0.1600
r_free	—

fit	/app/data/saxs_computation/cy/1cyn/1cyn.fit
pddf	/app/data/pr_computation/cy/1cyn/1cyn.pr.out
profile	/app/data/saxs_computation/cy/1cyn/1cyn.dat

CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN

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 polymer

Polymer

Entity 3 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)