Crystal structure of cZ22-Fab in complex with left-handed d(CG)6 DNA

entry_id	9ws0
deposition_date	2025-09-12
title	Crystal structure of cZ22-Fab in complex with left-handed d(CG)6 DNA
keywords	Antibody, Z-DNA, Complex, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	39.86 Å
rg_electron	40.56 Å
i0	162235000.00
molecular_weight	98759.0 kDa
excluded_volume	121700 ų
envelope_volume	169950 ų
shell_volume	37229 ų
envelope_diameter	140.3 Å
shell_rg	42.25 Å
envelope_rg	40.03 Å
shape_rg	40.52 Å
total_rg	40.79 Å
total_atoms	6927
n_residues	886
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	140.5 Å
rg_real	40.39 Å
rg_real_error	1.85 Å
i0_real	1.6220e+08
i0_real_error	3.0480e+06
rg_reciprocal	40.07 Å
i0_reciprocal	162200000.0000
total_estimate	0.8004
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	35.1 Å
skewness	0.494
kurtosis	-0.502
angular_range	— – 0.2000 Å−1
current_alpha	0.0000
highest_alpha	12100000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.694; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.587; Smooth: 0.732

Unit Cell

length_a	114.849 Å
length_b	148.663 Å
length_c	172.179 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	I 21 21 21
int_tables_number	24
crystal_system	orthorhombic

Refinement

resolution	3.270 Å
resolution_low	29.330 Å
r_factor	0.2005
r_work	0.1985
r_free	0.2385

Diffraction

temperature

112.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ws/9ws0/pr_distribution.json
• pr_output /app/data/pr_computation/ws/9ws0/9ws0.pr.out
• pr_plot /app/data/visualization/pr_computation/ws/9ws0/9ws0_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ws/9ws0/9ws0.dat
• saxs_fit /app/data/saxs_computation/ws/9ws0/9ws0.fit
• saxs_log /app/data/saxs_computation/ws/9ws0/9ws0.log
• saxs_plot /app/data/visualization/saxs_computation/ws/9ws0/9ws0_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ws/9ws0/9ws0.fit
pddf	/app/data/pr_computation/ws/9ws0/9ws0.pr.out
profile	/app/data/saxs_computation/ws/9ws0/9ws0.dat