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1e2i

The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography

Method: X-RAY DIFFRACTION Dmax: 79.5 Å Quality: GOOD

SAXS Profile

SAXS profile for 1e2i

P(r) Distribution

P(r) distribution for 1e2i
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1. Structure Basics

entry_id1e2i
deposition_date2000-05-23
titleThe nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
keywordsTRANSFERASE, ADENINE ANALOG, ENZYME-PRODRUG GENE THERAPY, NUCLEOSIDE- BINDING, THYMIDINE KINASE; TRANSFERASE
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier25.43 Å
rg_electron23.92 Å
i074224800.00
molecular_weight67606.0 kDa
excluded_volume84750 ų
envelope_volume98043 ų
shell_volume32764 ų
envelope_diameter82.1 Å
shell_rg32.37 Å
envelope_rg24.20 Å
shape_rg23.91 Å
total_rg24.84 Å
total_atoms4748
n_residues613
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)

dmax79.5 Å
rg_real25.28 Å
rg_real_error0.32 Å
i0_real7.4220e+07
i0_real_error8.6530e+05
rg_reciprocal25.33 Å
i0_reciprocal74230000.0000
total_estimate0.8966
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary33.3 Å
skewness0.150
kurtosis-0.408
angular_range— – 0.3100 Å−1
current_alpha0.0000
highest_alpha12050000.0000
n_real_points63
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.985
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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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6. Citations (3)

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7. Files & Curves (10)