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9vxs

Crystal structure of Antifungal agent Tavaborole in complex with SME-1 class A carbapenemase

Method: X-RAY DIFFRACTION Dmax: 87.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 9vxs

P(r) Distribution

P(r) distribution for 9vxs

1. Structure Basics

entry_id9vxs
deposition_date2025-07-20
last_revision2025-08-06
titleCrystal structure of Antifungal agent Tavaborole in complex with SME-1 class A carbapenemase
keywordsTavaborole, inhibitor, carbapenemase, ANTIMICROBIAL PROTEIN; ANTIMICROBIAL PROTEIN
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier26.23
rg_electron25.69
i0112376000.00
molecular_weight54991.0 kDa
excluded_volume52617 ų
envelope_volume87364 ų
shell_volume28676 ų
envelope_diameter91.2
shell_rg32.66
envelope_rg25.80
shape_rg25.69
total_rg26.22
total_atoms4157
n_residues534
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)

dmax87.1
rg_real26.28
rg_real_error0.65
i0_real1.1240e+08
i0_real_error1.6490e+06
rg_reciprocal26.26
i0_reciprocal112400000.0000
total_estimate0.8859
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary27.6
skewness0.400
kurtosis-0.351
angular_range— – 0.3000 −1
current_alpha0.0000
highest_alpha26470000.0000
n_real_points61
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.861; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.947; Smooth: 0.981

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)