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1cwf

HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN

Method: X-RAY DIFFRACTION D_max: 49.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cwf
deposition_date	1998-04-30
title	HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN
keywords	ISOMERASE-IMMUNOSUPPRESSANT COMPLEX, CYCLOPHILIN-CYCLOSPORIN COMPLEX, CYCLOSPORIN D, IMMUNOSUPPRESSANT, CYCLOPHILIN; 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	15.78 Å
rg_electron	14.60 Å
i0	6743860.00
molecular_weight	19238.0 kDa
excluded_volume	24253 Å³
envelope_volume	26194 Å³
shell_volume	14731 Å³
envelope_diameter	50.9 Å
shell_rg	20.94 Å
envelope_rg	14.90 Å
shape_rg	14.57 Å
total_rg	15.87 Å
total_atoms	1352
n_residues	168
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	49.7 Å
rg_real	15.64 Å
rg_real_error	0.22 Å
i0_real	6.7440e+06
i0_real_error	7.2230e+04
rg_reciprocal	15.65 Å
i0_reciprocal	6744000.0000
total_estimate	0.8835
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.4 Å
skewness	0.053
kurtosis	-0.394
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	2635000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.986

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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 A
formula_weight	18036.5 kDa
ec_number	5.2.1.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1529

MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	CYCLOSPORIN D
formula_weight	1234.7 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

ALLVTVGLVLA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	177

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6. Citations (1)

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length_a	36.400 Å
length_b	61.420 Å
length_c	72.420 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	0.1770
r_work	0.1770
r_free	—

fit	/app/data/saxs_computation/cw/1cwf/1cwf.fit
pddf	/app/data/pr_computation/cw/1cwf/1cwf.pr.out
profile	/app/data/saxs_computation/cw/1cwf/1cwf.dat

HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 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 (1)

7. Files & Curves (10)

Files (7)

Curves (3)