Entamoeba histolytica Cyclophilin 18 in complex with Alisporivir

entry_id	9upk
deposition_date	2025-04-28
last_revision	2026-05-20
title	Entamoeba histolytica Cyclophilin 18 in complex with Alisporivir
keywords	cyclophilin, PPIase, ISOMERASE; ISOMERASE
method	X-RAY DIFFRACTION

rg_guinier	22.16 Å
rg_electron	21.87 Å
i0	24236900.00
molecular_weight	38899.0 kDa
excluded_volume	49266 ų
envelope_volume	56078 ų
shell_volume	21940 ų
envelope_diameter	75.7 Å
shell_rg	27.82 Å
envelope_rg	21.76 Å
shape_rg	21.87 Å
total_rg	22.66 Å
total_atoms	5436
n_residues	338
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	72.8 Å
rg_real	22.20 Å
rg_real_error	0.42 Å
i0_real	2.4240e+07
i0_real_error	3.2470e+05
rg_reciprocal	22.20 Å
i0_reciprocal	24240000.0000
total_estimate	0.8776
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.8 Å
skewness	0.404
kurtosis	-0.403
angular_range	— – 0.3600 Å−1
current_alpha	0.0000
highest_alpha	13430000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.977

Unit Cell

length_a	37.381 Å
length_b	85.855 Å
length_c	62.878 Å
angle_alpha	90.00 °
angle_beta	104.25 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.600 Å
resolution_low	49.700 Å
r_factor	0.1672
r_work	0.1662
r_free	0.1862

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/up/9upk/pr_distribution.json
• pr_output /app/data/pr_computation/up/9upk/9upk.pr.out
• pr_plot /app/data/visualization/pr_computation/up/9upk/9upk_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/up/9upk/9upk.dat
• saxs_fit /app/data/saxs_computation/up/9upk/9upk.fit
• saxs_log /app/data/saxs_computation/up/9upk/9upk.log
• saxs_plot /app/data/visualization/saxs_computation/up/9upk/9upk_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/up/9upk/9upk.fit
pddf	/app/data/pr_computation/up/9upk/9upk.pr.out
profile	/app/data/saxs_computation/up/9upk/9upk.dat