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9t0t

Crystal Structure of the correct enantiomer bound to the PH domain of Btk

Method: X-RAY DIFFRACTION Dmax: 99.1 Å Quality: EXCELLENT

SAXS Profile

SAXS profile for 9t0t

P(r) Distribution

P(r) distribution for 9t0t

1. Structure Basics

entry_id9t0t
deposition_date2025-10-20
titleCrystal Structure of the correct enantiomer bound to the PH domain of Btk
keywordsFragment based drug discovery, ph domain, Hydrolase; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier31.01
rg_electron30.20
i0176578000.00
molecular_weight71560.0 kDa
excluded_volume69660 ų
envelope_volume125200 ų
shell_volume34497 ų
envelope_diameter100.1
shell_rg37.28
envelope_rg29.80
shape_rg30.11
total_rg30.85
total_atoms5430
n_residues631
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)

dmax99.1
rg_real30.94
rg_real_error0.83
i0_real1.7660e+08
i0_real_error2.9060e+06
rg_reciprocal30.97
i0_reciprocal176600000.0000
total_estimate0.9010
solution_quality EXCELLENT a EXCELLENT solution
n_peaks1
r_peak_primary42.8
skewness0.202
kurtosis-0.567
angular_range— – 0.2550 −1
current_alpha0.0000
highest_alpha40540000.0000
n_real_points52
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.929

4. Crystallography & Experiment

5. Entities & Polymer Info (6)

6. Citations (1)

7. Files & Curves (10)