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1eau

;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE ;

Method: X-RAY DIFFRACTION Dmax: 62.0 Å Quality: GOOD

SAXS Profile

SAXS profile for 1eau

P(r) Distribution

P(r) distribution for 1eau

1. Structure Basics

entry_id1eau
deposition_date1994-11-22
title;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE ;
keywordsHYDROLASE (SERINE PROTEASE); HYDROLASE (SERINE PROTEASE)
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier17.86
rg_electron16.59
i013700600.00
molecular_weight26571.0 kDa
excluded_volume32745 ų
envelope_volume36717 ų
shell_volume18023 ų
envelope_diameter54.6
shell_rg23.29
envelope_rg16.88
shape_rg16.58
total_rg17.60
total_atoms1865
n_residues240
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)

dmax62.0
rg_real17.72
rg_real_error0.44
i0_real1.3700e+07
i0_real_error1.9440e+05
rg_reciprocal17.74
i0_reciprocal13700000.0000
total_estimate0.7755
solution_quality GOOD a GOOD solution
n_peaks3
r_peak_primary22.6
skewness0.109
kurtosis-0.442
angular_range— – 0.4450 −1
current_alpha0.0000
highest_alpha4420000.0000
n_real_points75
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.693; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (10)

7. Files & Curves (10)