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1dwe

Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors

Method: X-RAY DIFFRACTION Dmax: 58.5 Å Quality: GOOD

SAXS Profile

SAXS profile for 1dwe

P(r) Distribution

P(r) distribution for 1dwe

1. Structure Basics

entry_id1dwe
deposition_date1992-08-19
titleCrystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors
keywordsHYDROLASE-HYDROLASE INHIBITOR COMPLEX, SERINE PROTEINASE; HYDROLASE/HYDROLASE INHIBITOR
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier19.15
rg_electron18.21
i037201500.00
molecular_weight31656.0 kDa
excluded_volume30692 ų
envelope_volume48708 ų
shell_volume21507 ų
envelope_diameter60.1
shell_rg25.30
envelope_rg18.53
shape_rg18.18
total_rg18.97
total_atoms2388
n_residues296
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)

dmax58.5
rg_real18.99
rg_real_error0.21
i0_real3.7200e+07
i0_real_error4.4970e+05
rg_reciprocal19.02
i0_reciprocal37200000.0000
total_estimate0.8972
solution_quality GOOD a GOOD solution
n_peaks1
r_peak_primary57.7
skewness0.100
kurtosis-0.465
angular_range— – 0.4150 −1
current_alpha0.0000
highest_alpha12510000.0000
n_real_points73
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.968

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (7)

7. Files & Curves (10)