Crystal structure of cZ22-Fab in complex with left-handed dC(GC)3 DNA

entry_id	9wu2
deposition_date	2025-09-17
title	Crystal structure of cZ22-Fab in complex with left-handed dC(GC)3 DNA
keywords	Antibody, Z-DNA, Complex, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	64.00 Å
rg_electron	65.19 Å
i0	1319940000.00
molecular_weight	292700.0 kDa
excluded_volume	360940 ų
envelope_volume	599780 ų
shell_volume	82073 ų
envelope_diameter	248.4 Å
shell_rg	61.11 Å
envelope_rg	63.28 Å
shape_rg	65.18 Å
total_rg	65.11 Å
total_atoms	20543
n_residues	2597
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	222.1 Å
rg_real	64.52 Å
rg_real_error	2.37 Å
i0_real	1.3190e+09
i0_real_error	2.8360e+07
rg_reciprocal	63.49 Å
i0_reciprocal	1317000000.0000
total_estimate	0.8646
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	83.3 Å
skewness	0.497
kurtosis	0.086
angular_range	— – 0.1200 Å−1
current_alpha	0.0021
highest_alpha	34770000.0000
n_real_points	25
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.754

Unit Cell

length_a	195.566 Å
length_b	195.566 Å
length_c	89.395 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

Symmetry

space_group	P 31
int_tables_number	144
crystal_system	trigonal

Refinement

resolution	2.350 Å
resolution_low	17.920 Å
r_factor	0.1710
r_work	0.1690
r_free	0.2096

Diffraction

temperature

112.0 K

Files (7)

• pr_distribution /app/data/pr_computation/wu/9wu2/pr_distribution.json
• pr_output /app/data/pr_computation/wu/9wu2/9wu2.pr.out
• pr_plot /app/data/visualization/pr_computation/wu/9wu2/9wu2_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/wu/9wu2/9wu2.dat
• saxs_fit /app/data/saxs_computation/wu/9wu2/9wu2.fit
• saxs_log /app/data/saxs_computation/wu/9wu2/9wu2.log
• saxs_plot /app/data/visualization/saxs_computation/wu/9wu2/9wu2_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/wu/9wu2/9wu2.fit
pddf	/app/data/pr_computation/wu/9wu2/9wu2.pr.out
profile	/app/data/saxs_computation/wu/9wu2/9wu2.dat