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1css

;ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH ;

Method: X-RAY DIFFRACTION Dmax: 71.6 Å Quality: REASONABLE

SAXS Profile

SAXS profile for 1css

P(r) Distribution

P(r) distribution for 1css

1. Structure Basics

entry_id1css
deposition_date1995-08-04
title;ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH ;
keywordsOXO-ACID-LYASE; OXO-ACID-LYASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier23.31
rg_electron22.15
i039810200.00
molecular_weight48957.0 kDa
excluded_volume61320 ų
envelope_volume72857 ų
shell_volume26881 ų
envelope_diameter73.1
shell_rg29.76
envelope_rg22.60
shape_rg22.14
total_rg23.10
total_atoms3446
n_residues435
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)

dmax71.6
rg_real23.20
rg_real_error0.36
i0_real3.9810e+07
i0_real_error4.5140e+05
rg_reciprocal23.23
i0_reciprocal39810000.0000
total_estimate0.7246
solution_quality REASONABLE a REASONABLE solution
n_peaks2
r_peak_primary27.5
skewness0.224
kurtosis-0.410
angular_range— – 0.3400 −1
current_alpha0.0000
highest_alpha7365000.0000
n_real_points66
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 0.223; Positv: 1.000; Valcen: 0.992; Smooth: 0.957

4. Crystallography & Experiment

5. Entities & Polymer Info (4)

6. Citations (5)

7. Files & Curves (10)