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1btw

Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface

Method: X-RAY DIFFRACTION Dmax: 52.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 1btw

P(r) Distribution

P(r) distribution for 1btw
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1. Structure Basics

entry_id1btw
deposition_date1995-05-17
titleEpiselection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface
keywordsTRIPEPTIDEBORONATE 1, 3-PROPANEDIOL MONOESTER-INHIBITED, SERINE PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier16.95 Å
rg_electron16.08 Å
i017231100.00
molecular_weight22557.0 kDa
excluded_volume23161 ų
envelope_volume32305 ų
shell_volume16590 ų
envelope_diameter52.2 Å
shell_rg22.38 Å
envelope_rg16.27 Å
shape_rg16.25 Å
total_rg16.53 Å
total_atoms2050
n_residues223
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)

dmax52.1 Å
rg_real16.83 Å
rg_real_error0.17 Å
i0_real1.7230e+07
i0_real_error1.8730e+05
rg_reciprocal16.85 Å
i0_reciprocal17230000.0000
total_estimate0.8998
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary21.9 Å
skewness0.141
kurtosis-0.451
angular_range— – 0.4700 Å−1
current_alpha0.0000
highest_alpha5393000.0000
n_real_points77
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.969
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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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6. Citations (6)

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7. Files & Curves (10)