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9ta5

PITP covalently bound to microcolin H

Method: X-RAY DIFFRACTION D_max: 65.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ta5
deposition_date	2025-11-18
title	PITP covalently bound to microcolin H
keywords	PITP, microcolin H, LIPID TRANSPORT; LIPID TRANSPORT
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	20.30 Å
rg_electron	19.15 Å
i0	15664300.00
molecular_weight	30313.0 kDa
excluded_volume	38164 Å³
envelope_volume	46196 Å³
shell_volume	20200 Å³
envelope_diameter	67.5 Å
shell_rg	25.40 Å
envelope_rg	19.23 Å
shape_rg	19.12 Å
total_rg	20.14 Å
total_atoms	2138
n_residues	252
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	65.5 Å
rg_real	20.18 Å
rg_real_error	0.36 Å
i0_real	1.5660e+07
i0_real_error	2.1500e+05
rg_reciprocal	20.20 Å
i0_reciprocal	15660000.0000
total_estimate	0.8894
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.124
kurtosis	-0.396
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	1702000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Phosphatidylinositol transfer protein alpha isoform
formula_weight	31941.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2239

SMVLLKEYRVILPVSVDEYQVGQLYSVAEASKNETGGGEGVEVLVNEPYEKDGEKGQYTHKIYHLQSKVPTFVRMLAPEGALNIHEKAWNAYPYCRTVITNEYMKEDFLIKIETWHKPDLGTQENVHKLEPEAWKHVEAVYIDIADRSQVLSKDYKAEEDPAKFKSIKTGRGPLGPNWKQELVNQKDCPYMCAYKLVTVKFKWWGLQNKVENFIHKQERRLFTNFHRQLFCWLDKWVDLTMDDIRRMEEETKRQLDEMRQKDPVKGMTADD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	Microcolin H
formula_weight	736.0 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(D)
strand_id	B

XLTVPX

Entity 3 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	NICKEL (II) ION
formula_weight	58.7 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	101

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6. Citations (1)

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length_a	82.212 Å
length_b	94.473 Å
length_c	50.651 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	orthorhombic

resolution	2.100 Å
resolution_low	44.640 Å
r_factor	0.2493
r_work	0.2485
r_free	0.2634

fit	/app/data/saxs_computation/ta/9ta5/9ta5.fit
pddf	/app/data/pr_computation/ta/9ta5/9ta5.pr.out
profile	/app/data/saxs_computation/ta/9ta5/9ta5.dat

PITP covalently bound to microcolin H

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)