Human poly ADP-ribose polymerase(PARP-1 )zinc finger 1 bound to 17bp DNA

entry_id	9umf
deposition_date	2025-04-21
last_revision	2026-04-29
title	Human poly ADP-ribose polymerase(PARP-1 )zinc finger 1 bound to 17bp DNA
keywords	DNA, complex, DNA BINDING PROTEIN/DNA, DNA BINDING PROTEIN-DNA complex; DNA BINDING PROTEIN/DNA
method	X-RAY DIFFRACTION

rg_guinier	27.82 Å
rg_electron	29.16 Å
i0	23466200.00
molecular_weight	30705.0 kDa
excluded_volume	35198 ų
envelope_volume	50939 ų
shell_volume	15115 ų
envelope_diameter	100.1 Å
shell_rg	35.35 Å
envelope_rg	28.61 Å
shape_rg	29.25 Å
total_rg	29.48 Å
total_atoms	2109
n_residues	207
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	95.4 Å
rg_real	28.15 Å
rg_real_error	0.96 Å
i0_real	2.3470e+07
i0_real_error	3.5360e+05
rg_reciprocal	28.05 Å
i0_reciprocal	23460000.0000
total_estimate	0.7925
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.1 Å
skewness	0.384
kurtosis	-0.740
angular_range	— – 0.2850 Å−1
current_alpha	0.0000
highest_alpha	1063000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.658; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.366; Smooth: 0.958

Unit Cell

length_a	30.393 Å
length_b	36.392 Å
length_c	307.334 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	3.500 Å
resolution_low	76.950 Å
r_factor	0.1829
r_work	0.1802
r_free	0.2396

Diffraction

temperature

100.0 K

Files (7)

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

Curves (3)

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