← Back to search

9sq2

H/D exchanged human SMUG1 in complex with deuterated uracil

D_max: 56.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9sq2
deposition_date	2025-09-19
last_revision	2026-05-13
title	H/D exchanged human SMUG1 in complex with deuterated uracil
keywords	H/D exchange, X/N joint refinement, SMUG1, DNA glycosylase, deuterated uracil, HYDROLASE; HYDROLASE

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.29 Å
rg_electron	16.99 Å
i0	13008700.00
molecular_weight	27675.0 kDa
excluded_volume	34948 Å³
envelope_volume	39456 Å³
shell_volume	18876 Å³
envelope_diameter	57.0 Å
shell_rg	23.78 Å
envelope_rg	17.24 Å
shape_rg	16.95 Å
total_rg	18.20 Å
total_atoms	3896
n_residues	246
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

▼

3. P(r) Analysis (GNOM)

dmax	56.6 Å
rg_real	18.14 Å
rg_real_error	0.22 Å
i0_real	1.3010e+07
i0_real_error	1.3900e+05
rg_reciprocal	18.16 Å
i0_reciprocal	13010000.0000
total_estimate	0.8907
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.060
kurtosis	-0.431
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	4551000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.994

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Single-strand selective monofunctional uracil DNA glycosylase
formula_weight	27373.7 kDa
ec_number	3.2.2.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4720

GSLAESFLEEELRLNAELSQLQFSEPVGIIYNPVEYAWEPHRNYVTRYCQGPKEVLFLGMNPGPFGMAQTGVPFGEVSMVRDWLGIVGPVLTPPQEHPKRPVLGLECPQSEVSGARFWGFFRNLCGQPEVFFHHCFVHNLCPLLFLAPSGRNLTPAELPAKQREQLLGICDAALCRQVQLLGVRLVVGVGRLAEQRARRALAGLMPEVQVEGLLHPSPRNPQANKGWEAVAKERLNELGLLPLLLK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	URACIL
formula_weight	112.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	BICINE
formula_weight	163.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	109

▶

6. Citations (1)

▶

length_a	49.859 Å
length_b	61.136 Å
length_c	93.865 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

fit	/app/data/saxs_computation/sq/9sq2/9sq2.fit
pddf	/app/data/pr_computation/sq/9sq2/9sq2.pr.out
profile	/app/data/saxs_computation/sq/9sq2/9sq2.dat