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9wn1

PhospholipaseA2 with a ligand

Method: X-RAY DIFFRACTION D_max: 198.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wn1
deposition_date	2025-09-04
last_revision	2026-04-29
title	PhospholipaseA2 with a ligand
keywords	phospholipasec2, crystal sturcure, ligand, LIPID BINDING PROTEIN; LIPID BINDING PROTEIN
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	57.91 Å
rg_electron	57.82 Å
i0	2740620000.00
molecular_weight	448820.0 kDa
excluded_volume	564500 Å³
envelope_volume	745480 Å³
shell_volume	105770 Å³
envelope_diameter	198.4 Å
shell_rg	60.92 Å
envelope_rg	56.85 Å
shape_rg	57.82 Å
total_rg	57.88 Å
total_atoms	31674
n_residues	3986
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	198.5 Å
rg_real	57.89 Å
rg_real_error	1.89 Å
i0_real	2.7410e+09
i0_real_error	5.6810e+07
rg_reciprocal	57.89 Å
i0_reciprocal	2741000000.0000
total_estimate	0.8108
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	73.5 Å
skewness	0.241
kurtosis	-0.539
angular_range	— – 0.1350 Å⁻¹
current_alpha	0.0001
highest_alpha	272300000.0000
n_real_points	28
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.854; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Patatin
formula_weight	36883.0 kDa
mutation	K304A
src_method	man
entity_count	12

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J,K,L
atom_count	31870

MEKFQILALSGGGYRGLFTATVLKELEQEAKENGHDSIADCFDLITGTSVGGIVALAIAYGIKVEAIVDLFKSHGDKIFQPKPFLKFTGSKYSNESLKTVLEEWFGDSILGDLKCPVVIPTIDFTRGSPVTLKTPHNPNLKRDWKLKIVDVALATSAAPTYFPRHPIGPNEYVDGGLFANDPSLIGLHEADYMFKKNIQDVHILSIGTLSSKKQLNPSTKKDGGYLDWGEGSILKAAPNIIDLVLSSQQQFMEQMVKHRMEPFPNQFYKIDEQIVQASAQFIGLDETSDAAKQVLEGNGIQSAAVALGKDFIRNYFNQPSRKREWFDGPQKNV

Source

organism	Acinetobacter baumannii
ncbi_taxonomy_id	470
host_organism	Escherichia coli

Entity 2 non-polymer

description	;2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one ;
formula_weight	674.4 kDa
src_method	syn
entity_count	12

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	196

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6. Citations (1)

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length_a	88.956 Å
length_b	159.748 Å
length_c	132.480 Å
angle_alpha	90.00 °
angle_beta	90.18 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.760 Å
resolution_low	20.300 Å
r_factor	0.2231
r_work	0.2207
r_free	0.2675

fit	/app/data/saxs_computation/wn/9wn1/9wn1.fit
pddf	/app/data/pr_computation/wn/9wn1/9wn1.pr.out
profile	/app/data/saxs_computation/wn/9wn1/9wn1.dat

PhospholipaseA2 with a ligand

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