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1a71

;TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL ;

Method: X-RAY DIFFRACTION Dmax: 103.0 Å Quality: GOOD

SAXS Profile

SAXS profile for 1a71

P(r) Distribution

P(r) distribution for 1a71
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1. Structure Basics

entry_id1a71
deposition_date1998-03-19
title;TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL ;
keywordsOXIDOREDUCTASE (NAD(A)-CHOH(D)), LIVER, ALCOHOL, DEHYDROGENASE, LADH, ACTIVE SITE MUTANT, OXIDOREDUCTASE; OXIDOREDUCTASE
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier29.64 Å
rg_electron29.59 Å
i0105165000.00
molecular_weight81427.0 kDa
excluded_volume101990 ų
envelope_volume117610 ų
shell_volume33944 ų
envelope_diameter109.3 Å
shell_rg35.94 Å
envelope_rg29.83 Å
shape_rg29.60 Å
total_rg30.07 Å
total_atoms5676
n_residues748
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)

dmax103.0 Å
rg_real29.80 Å
rg_real_error0.90 Å
i0_real1.0520e+08
i0_real_error1.5740e+06
rg_reciprocal29.73 Å
i0_reciprocal105200000.0000
total_estimate0.8446
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary29.2 Å
skewness0.504
kurtosis-0.268
angular_range— – 0.2650 Å−1
current_alpha0.0000
highest_alpha49960000.0000
n_real_points54
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.744; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.870; Smooth: 0.873
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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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6. Citations (2)

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7. Files & Curves (10)