Human poly ADP-ribose polymerase(PARP-1 )zinc finger 1 bound to 13bp DNA

entry_id	9umc
deposition_date	2025-04-21
last_revision	2026-04-29
title	Human poly ADP-ribose polymerase(PARP-1 )zinc finger 1 bound to 13bp DNA
keywords	DNA, Complex, DNA BINDING PROTEIN/DNA, DNA BINDING PROTEIN-DNA complex; DNA BINDING PROTEIN/DNA
method	X-RAY DIFFRACTION

rg_guinier	26.17 Å
rg_electron	27.81 Å
i0	19769800.00
molecular_weight	28649.0 kDa
excluded_volume	33339 ų
envelope_volume	46849 ų
shell_volume	15736 ų
envelope_diameter	95.5 Å
shell_rg	31.79 Å
envelope_rg	27.70 Å
shape_rg	27.88 Å
total_rg	28.03 Å
total_atoms	1975
n_residues	205
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	93.5 Å
rg_real	26.58 Å
rg_real_error	0.91 Å
i0_real	1.9770e+07
i0_real_error	2.9680e+05
rg_reciprocal	26.46 Å
i0_reciprocal	19770000.0000
total_estimate	0.7549
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.9 Å
skewness	0.571
kurtosis	-0.435
angular_range	— – 0.3050 Å−1
current_alpha	0.0000
highest_alpha	1249000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.546; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.259; Smooth: 0.912

Unit Cell

length_a	86.960 Å
length_b	86.960 Å
length_c	150.150 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

Symmetry

space_group	P 64 2 2
int_tables_number	181
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	43.520 Å
r_factor	0.2058
r_work	0.2029
r_free	0.2576

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/um/9umc/pr_distribution.json
• pr_output /app/data/pr_computation/um/9umc/9umc.pr.out
• pr_plot /app/data/visualization/pr_computation/um/9umc/9umc_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/um/9umc/9umc.dat
• saxs_fit /app/data/saxs_computation/um/9umc/9umc.fit
• saxs_log /app/data/saxs_computation/um/9umc/9umc.log
• saxs_plot /app/data/visualization/saxs_computation/um/9umc/9umc_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/um/9umc/9umc.fit
pddf	/app/data/pr_computation/um/9umc/9umc.pr.out
profile	/app/data/saxs_computation/um/9umc/9umc.dat