Cryogenic structure of SOD1, determined as the SSX counterpart

entry_id	9xji
deposition_date	2025-11-04
last_revision	2026-04-01
title	Cryogenic structure of SOD1, determined as the SSX counterpart
keywords	hSOD1, SOD1, superoxide dismutase (Cu-Zn), OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

rg_guinier	20.82 Å
rg_electron	19.86 Å
i0	20390000.00
molecular_weight	31840.0 kDa
excluded_volume	38823 ų
envelope_volume	45556 ų
shell_volume	19580 ų
envelope_diameter	71.8 Å
shell_rg	25.94 Å
envelope_rg	20.11 Å
shape_rg	19.87 Å
total_rg	20.61 Å
total_atoms	2223
n_residues	306
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	70.6 Å
rg_real	20.82 Å
rg_real_error	0.45 Å
i0_real	2.0390e+07
i0_real_error	2.6100e+05
rg_reciprocal	20.82 Å
i0_reciprocal	20390000.0000
total_estimate	0.8796
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	69.5 Å
skewness	0.343
kurtosis	-0.359
angular_range	— – 0.3800 Å−1
current_alpha	0.0000
highest_alpha	2255000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.823; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.989

Unit Cell

length_a	112.610 Å
length_b	112.610 Å
length_c	70.117 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 63
int_tables_number	173
crystal_system	—

Refinement

resolution	2.370 Å
resolution_low	48.760 Å
r_factor	0.2219
r_work	0.2213
r_free	0.2311

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/xj/9xji/pr_distribution.json
• pr_output /app/data/pr_computation/xj/9xji/9xji.pr.out
• pr_plot /app/data/visualization/pr_computation/xj/9xji/9xji_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/xj/9xji/9xji.dat
• saxs_fit /app/data/saxs_computation/xj/9xji/9xji.fit
• saxs_log /app/data/saxs_computation/xj/9xji/9xji.log
• saxs_plot /app/data/visualization/saxs_computation/xj/9xji/9xji_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/xj/9xji/9xji.fit
pddf	/app/data/pr_computation/xj/9xji/9xji.pr.out
profile	/app/data/saxs_computation/xj/9xji/9xji.dat