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9v49

Crystal Structure of 2R, 3S-Xeruborbactam with SME-1

Method: X-RAY DIFFRACTION Dmax: 85.9 Å Quality: GOOD

SAXS Profile

SAXS profile for 9v49

P(r) Distribution

P(r) distribution for 9v49

1. Structure Basics

entry_id9v49
deposition_date2025-05-23
titleCrystal Structure of 2R, 3S-Xeruborbactam with SME-1
keywordsStereo isomer, Xeruborbactam, Complex, Carbapenemase, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier26.67
rg_electron26.13
i0113898000.00
molecular_weight55422.0 kDa
excluded_volume53067 ų
envelope_volume88175 ų
shell_volume28464 ų
envelope_diameter90.1
shell_rg33.09
envelope_rg26.09
shape_rg26.13
total_rg26.65
total_atoms4186
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)

dmax85.9
rg_real26.71
rg_real_error0.62
i0_real1.1390e+08
i0_real_error1.7110e+06
rg_reciprocal26.70
i0_reciprocal113900000.0000
total_estimate0.8956
solution_quality GOOD a GOOD solution
n_peaks1
r_peak_primary84.5
skewness0.357
kurtosis-0.471
angular_range— – 0.2950 −1
current_alpha0.0000
highest_alpha25670000.0000
n_real_points60
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.945; Smooth: 0.962

4. Crystallography & Experiment

5. Entities & Polymer Info (7)

6. Citations (1)

7. Files & Curves (10)