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13oc

PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13508

Method: X-RAY DIFFRACTION Dmax: 85.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 13oc

P(r) Distribution

P(r) distribution for 13oc

1. Structure Basics

entry_id13oc
deposition_date2025-09-17
last_revision2026-02-18
titlePanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13508
keywordsPLpro, SARS-CoV-2, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier23.83
rg_electron23.20
i021882100.00
molecular_weight35747.0 kDa
excluded_volume44706 ų
envelope_volume53683 ų
shell_volume20835 ų
envelope_diameter89.5
shell_rg28.46
envelope_rg23.61
shape_rg23.09
total_rg24.20
total_atoms2509
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)

dmax85.1
rg_real24.03
rg_real_error0.84
i0_real2.1880e+07
i0_real_error3.3250e+05
rg_reciprocal23.98
i0_reciprocal21880000.0000
total_estimate0.8295
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary23.9
skewness0.572
kurtosis-0.040
angular_range— – 0.3350 −1
current_alpha0.0000
highest_alpha4050000.0000
n_real_points65
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.701; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.735; Smooth: 0.946

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)