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9uf9

CRYSTAL STRUCTURE OF PEPSTATIN A BOUND TO RHODOTORULA MUCILAGINOSA ASPARTIC PROTEASE RmuAP1

Method: X-RAY DIFFRACTION D_max: 67.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uf9
deposition_date	2025-04-10
last_revision	2026-04-15
title	CRYSTAL STRUCTURE OF PEPSTATIN A BOUND TO RHODOTORULA MUCILAGINOSA ASPARTIC PROTEASE RmuAP1
keywords	ACID PROTEINASE, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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	20.67 Å
rg_electron	19.47 Å
i0	20812200.00
molecular_weight	34711.0 kDa
excluded_volume	43306 Å³
envelope_volume	48455 Å³
shell_volume	20867 Å³
envelope_diameter	67.1 Å
shell_rg	26.01 Å
envelope_rg	19.74 Å
shape_rg	19.43 Å
total_rg	20.44 Å
total_atoms	2452
n_residues	335
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	67.2 Å
rg_real	20.61 Å
rg_real_error	0.34 Å
i0_real	2.0810e+07
i0_real_error	2.5300e+05
rg_reciprocal	20.62 Å
i0_reciprocal	20810000.0000
total_estimate	0.8894
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.288
kurtosis	-0.296
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4196000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.855; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Pepstatin A
formula_weight	685.9 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I
atom_count	2782

XVVXAX

Entity 2 polymer

description	Type I transmembrane sorting receptor
formula_weight	34609.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

STGSDSLTSYQNDNLWAGKITIGSPAQSFIMDFDTGSSDLWVPSSACSGSGCGTHARYTATSSSTSKAVTGKTLNVQYGDGSTASGPVYSDSVTVGGLTATGQTFGTATTLTGNFGSSPSDGLVGMAYPALSQLGVPPFFNTLWSEGRVAANSFSFRLATQNSAASELYLGGLNSAKYVAGTTGYTPVISQTYWAINTNVAVNGQAVSGLGTLAAIADTGTTLIVVPTADAQTFWASVPGAAPYSGGGGYYTFPCNQAPKVTFQFPGSLTKWATPYLNLGTVSYGSNQCVGAIVGQDAGLNAWILGDSFLKGVYTTFDFANNRVGFSKLAHHHHHH

Source

organism	Rhodotorula mucilaginosa
ncbi_taxonomy_id	5537
host_organism	Yarrowia lipolytica

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	330

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6. Citations (1)

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length_a	41.519 Å
length_b	52.833 Å
length_c	157.808 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

resolution	1.780 Å
resolution_low	28.600 Å
r_factor	0.1762
r_work	0.1746
r_free	0.2052

fit	/app/data/saxs_computation/uf/9uf9/9uf9.fit
pddf	/app/data/pr_computation/uf/9uf9/9uf9.pr.out
profile	/app/data/saxs_computation/uf/9uf9/9uf9.dat

CRYSTAL STRUCTURE OF PEPSTATIN A BOUND TO RHODOTORULA MUCILAGINOSA ASPARTIC PROTEASE RmuAP1

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

Diffraction

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)