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9qui

Ni(II)-bound de novo protein scaffold TFD-EH

Method: X-RAY DIFFRACTION Dmax: 55.4 Å Quality: EXCELLENT

SAXS Profile

SAXS profile for 9qui

P(r) Distribution

P(r) distribution for 9qui
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1. Structure Basics

entry_id9qui
deposition_date2025-04-10
titleNi(II)-bound de novo protein scaffold TFD-EH
keywordsTIM barrel, Enzyme Engineering, Metal Coordination, Conformational Dynamics, DE NOVO PROTEIN; DE NOVO PROTEIN
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier17.58 Å
rg_electron16.76 Å
i06654070.00
molecular_weight19089.0 kDa
excluded_volume24119 ų
envelope_volume28927 ų
shell_volume14745 ų
envelope_diameter54.5 Å
shell_rg22.34 Å
envelope_rg17.10 Å
shape_rg16.74 Å
total_rg17.81 Å
total_atoms1335
n_residues170
n_harmonics20
q_range— – 0.5000 Å−1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3
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3. P(r) Analysis (GNOM)

dmax55.4 Å
rg_real17.52 Å
rg_real_error0.28 Å
i0_real6.6540e+06
i0_real_error7.9890e+04
rg_reciprocal17.53 Å
i0_reciprocal6654000.0000
total_estimate0.9031
solution_quality EXCELLENT a EXCELLENT solution
n_peaks2
r_peak_primary20.7 Å
skewness0.222
kurtosis-0.512
angular_range— – 0.4550 Å−1
current_alpha0.0000
highest_alpha1962000.0000
n_real_points76
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.997
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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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6. Citations (1)

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7. Files & Curves (10)