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9rls

PARP10 catalytic domain in complex with OUL499

Method: X-RAY DIFFRACTION D_max: 151.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rls
deposition_date	2025-06-17
last_revision	2025-09-17
title	PARP10 catalytic domain in complex with OUL499
keywords	Inhibitor, Complex, ADP-ribosyltransferase, TRANSFERASE; TRANSFERASE
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	45.05 Å
rg_electron	44.91 Å
i0	461701000.00
molecular_weight	172500.0 kDa
excluded_volume	214380 Å³
envelope_volume	313970 Å³
shell_volume	59836 Å³
envelope_diameter	151.3 Å
shell_rg	48.05 Å
envelope_rg	43.52 Å
shape_rg	44.95 Å
total_rg	44.94 Å
total_atoms	24116
n_residues	1507
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	151.0 Å
rg_real	45.11 Å
rg_real_error	1.52 Å
i0_real	4.6170e+08
i0_real_error	9.0220e+06
rg_reciprocal	45.05 Å
i0_reciprocal	461700000.0000
total_estimate	0.8901
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	51.8 Å
skewness	0.307
kurtosis	-0.565
angular_range	— – 0.1750 Å⁻¹
current_alpha	0.0000
highest_alpha	27970000.0000
n_real_points	36
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.903

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Poly [ADP-ribose] polymerase 10
formula_weight	21628.6 kDa
ec_number	2.4.2.30
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	24184

SMNLERLAENTGEFQEVVRAFYDTLDAARSSIRVVRVERVSHPLLQQQYELYRERLLQRCERRPVEQVLYHGTTAPAVPDICAHGFNRSFCGRNATVYGKGVYFARRASLSVQDRYSPPNADGHKAVFVARVLTGDYGQGRRGLRAPPLRGPGHVLLRYDSAVDCICQPSIFVIFHDTQALPTHLITCEHV

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione
formula_weight	302.7 kDa
src_method	syn
entity_count	8

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	54

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6. Citations (1)

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length_a	48.590 Å
length_b	71.650 Å
length_c	131.460 Å
angle_alpha	102.57 °
angle_beta	96.38 °
angle_gamma	90.01 °
z_pdb	8

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.750 Å
resolution_low	48.321 Å
r_factor	—
r_work	0.2140
r_free	0.2645

fit	/app/data/saxs_computation/rl/9rls/9rls.fit
pddf	/app/data/pr_computation/rl/9rls/9rls.pr.out
profile	/app/data/saxs_computation/rl/9rls/9rls.dat

PARP10 catalytic domain in complex with OUL499

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