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9ujb

Crystal Structure of SME-1 E166A in complex with Ceftobiprole

Method: X-RAY DIFFRACTION Dmax: 91.5 Å Quality: GOOD

SAXS Profile

SAXS profile for 9ujb

P(r) Distribution

P(r) distribution for 9ujb

1. Structure Basics

entry_id9ujb
deposition_date2025-04-17
last_revision2026-04-22
titleCrystal Structure of SME-1 E166A in complex with Ceftobiprole
keywordsCarbapenemase, complex, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier28.19
rg_electron27.55
i060408700.00
molecular_weight59510.0 kDa
excluded_volume73973 ų
envelope_volume88159 ų
shell_volume27516 ų
envelope_diameter96.3
shell_rg33.70
envelope_rg27.70
shape_rg27.55
total_rg28.13
total_atoms4177
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)

dmax91.5
rg_real28.35
rg_real_error0.67
i0_real6.0410e+07
i0_real_error9.2390e+05
rg_reciprocal28.31
i0_reciprocal60410000.0000
total_estimate0.8708
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary26.1
skewness0.415
kurtosis-0.523
angular_range— – 0.2800 −1
current_alpha0.0000
highest_alpha18860000.0000
n_real_points57
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.872; Smooth: 0.854

4. Crystallography & Experiment

5. Entities & Polymer Info (6)

6. Citations (1)

7. Files & Curves (10)