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9tsn

ProteinMPNN mutated KREP domain of PF3D7_1343700 (PfK13-KREP, 59,4% sequence identity)

Method: X-RAY DIFFRACTION D_max: 102.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tsn
deposition_date	2025-12-30
last_revision	2026-05-13
title	ProteinMPNN mutated KREP domain of PF3D7_1343700 (PfK13-KREP, 59,4% sequence identity)
keywords	Propeller domain, Mutant, Protein Design, UNKNOWN FUNCTION; UNKNOWN FUNCTION
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	33.70 Å
rg_electron	32.91 Å
i0	135767000.00
molecular_weight	94985.0 kDa
excluded_volume	119420 Å³
envelope_volume	152190 Å³
shell_volume	38819 Å³
envelope_diameter	102.5 Å
shell_rg	39.71 Å
envelope_rg	31.94 Å
shape_rg	32.90 Å
total_rg	33.49 Å
total_atoms	6736
n_residues	860
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	102.9 Å
rg_real	33.61 Å
rg_real_error	0.88 Å
i0_real	1.3580e+08
i0_real_error	2.3750e+06
rg_reciprocal	33.67 Å
i0_reciprocal	135800000.0000
total_estimate	0.9033
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.6 Å
skewness	0.081
kurtosis	-0.829
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	37420000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.934

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Kelch protein
formula_weight	34079.9 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	7129

MSGLSHPLIYVIGGFNGVEYLNSVEVYDWENNKWVKGTPFKTPRAYFGSFVLNNKIYIAGGNNYDYKALDTTEIYDPKENKWSDGPKLLVPRRNNAGVYLNGKIYVIGGYDGSSIINSVEAYDPEKNEWIPVAPLKTARSSAASAAFNNKIYVIGGTNGERLNSIEVYDEATNTWTTFPVPLLIPRSSGAAFVSGDKLYVIGGIDNNHNILNDVEMYDPEKKEWSFINPMPIPRMNFGSASLPNSFIVTGGENGEVLNETYRYDPATNKWTKEAPLLTPRFGHAVLVVNNGSGSHHWGSTHHHHHH

Source

organism	Plasmodium falciparum 3D7
ncbi_taxonomy_id	36329
host_organism	Escherichia coli

Entity 2 non-polymer

description	(R,R)-2,3-BUTANEDIOL
formula_weight	90.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	375

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6. Citations (1)

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length_a	92.428 Å
length_b	92.428 Å
length_c	90.531 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	P 31
int_tables_number	144
crystal_system	—

resolution	2.150 Å
resolution_low	80.040 Å
r_factor	0.1891
r_work	0.1873
r_free	0.2226

fit	/app/data/saxs_computation/ts/9tsn/9tsn.fit
pddf	/app/data/pr_computation/ts/9tsn/9tsn.pr.out
profile	/app/data/saxs_computation/ts/9tsn/9tsn.dat