9yri
cis-CaaD E114Q mutant with covalent intermediates of the hydration and decarboxylation of acetylenecarboxylic acid
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9yri |
| deposition_date | 2025-10-16 |
| last_revision | 2025-11-05 |
| title | cis-CaaD E114Q mutant with covalent intermediates of the hydration and decarboxylation of acetylenecarboxylic acid |
| keywords | Tautomerase, cis-CaaD, acetylenecaarboxylic acid, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 22.03 Å |
| rg_electron | 20.66 Å |
| i0 | 42323000.00 |
| molecular_weight | 48837.0 kDa |
| excluded_volume | 60202 ų |
| envelope_volume | 68118 ų |
| shell_volume | 26456 ų |
| envelope_diameter | 64.9 Å |
| shell_rg | 28.37 Å |
| envelope_rg | 20.86 Å |
| shape_rg | 20.67 Å |
| total_rg | 21.46 Å |
| total_atoms | 3447 |
| n_residues | 432 |
| n_harmonics | 20 |
| q_range | — – 0.5000 Å−1 |
| n_points | 101 |
| shell_type | directional |
| solvent_density | 0.3340 e/ų |
| contrast_shell | 0.0300 e/ų |
| crysol_version | 4.1.3 |
3. P(r) Analysis (GNOM)
| dmax | 64.9 Å |
| rg_real | 21.85 Å |
| rg_real_error | 0.27 Å |
| i0_real | 4.2320e+07 |
| i0_real_error | 4.9360e+05 |
| rg_reciprocal | 21.88 Å |
| i0_reciprocal | 42320000.0000 |
| total_estimate | 0.9100 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 28.1 Å |
| skewness | 0.115 |
| kurtosis | -0.478 |
| angular_range | — – 0.3600 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 12530000.0000 |
| n_real_points | 68 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.949; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.997 |