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13qv

PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 6R-0620

Method: X-RAY DIFFRACTION Dmax: 64.4 Å Quality: REASONABLE

SAXS Profile

SAXS profile for 13qv

P(r) Distribution

P(r) distribution for 13qv

1. Structure Basics

entry_id13qv
deposition_date2025-09-17
last_revision2026-02-18
titlePanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 6R-0620
keywordsPLpro, SARS-CoV-2, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier23.63
rg_electron23.12
i041080400.00
molecular_weight33274.0 kDa
excluded_volume32192 ų
envelope_volume53389 ų
shell_volume20755 ų
envelope_diameter89.2
shell_rg28.35
envelope_rg23.62
shape_rg23.05
total_rg23.73
total_atoms2505
n_residues313
n_harmonics20
q_range— – 0.5000 −1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3

3. P(r) Analysis (GNOM)

dmax64.4
rg_real22.37
rg_real_error0.12
i0_real3.9340e+07
i0_real_error3.7750e+05
rg_reciprocal23.79
i0_reciprocal41080000.0000
total_estimate0.6860
solution_quality REASONABLE a REASONABLE solution
n_peaks1
r_peak_primary25.2
skewness0.359
kurtosis-0.469
angular_range— – 0.3350 −1
current_alpha2.0660
highest_alpha4533000.0000
n_real_points65
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.986; Stabil: 0.991; Sysdev: 0.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.000

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)