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1caq

X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY

Method: X-RAY DIFFRACTION Dmax: 49.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 1caq

P(r) Distribution

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

entry_id1caq
deposition_date1999-02-23
titleX-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
keywordsMATRIX METALLOPROTEINASE, MMP-3, NON-PEPTIDE INHIBITOR, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier16.38 Å
rg_electron15.05 Å
i07222510.00
molecular_weight19707.0 kDa
excluded_volume24573 ų
envelope_volume27070 ų
shell_volume14892 ų
envelope_diameter50.0 Å
shell_rg21.28 Å
envelope_rg15.31 Å
shape_rg15.02 Å
total_rg16.22 Å
total_atoms1385
n_residues168
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)

dmax49.1 Å
rg_real16.23 Å
rg_real_error0.24 Å
i0_real7.2230e+06
i0_real_error8.0140e+04
rg_reciprocal16.24 Å
i0_reciprocal7223000.0000
total_estimate0.8248
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary20.8 Å
skewness0.043
kurtosis-0.469
angular_range— – 0.4850 Å−1
current_alpha0.0000
highest_alpha1088000.0000
n_real_points79
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.918; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.000
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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)