9yrj
Cis-CaaD E114Q mutant with a covalent hydroxypropionate intermediate of the hydration of acetylenecarboxylic acid
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9yrj |
| deposition_date | 2025-10-16 |
| last_revision | 2025-10-29 |
| title | Cis-CaaD E114Q mutant with a covalent hydroxypropionate intermediate of the hydration of acetylenecarboxylic acid |
| keywords | cis-CaaD, tautomerase, acetylenecarboxylic acid, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 21.94 Å |
| rg_electron | 20.55 Å |
| i0 | 41632200.00 |
| molecular_weight | 48741.0 kDa |
| excluded_volume | 60224 ų |
| envelope_volume | 66867 ų |
| shell_volume | 26147 ų |
| envelope_diameter | 64.8 Å |
| shell_rg | 28.20 Å |
| envelope_rg | 20.73 Å |
| shape_rg | 20.55 Å |
| total_rg | 21.35 Å |
| total_atoms | 3444 |
| n_residues | 435 |
| 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 | 64.3 Å |
| rg_real | 21.76 Å |
| rg_real_error | 0.26 Å |
| i0_real | 4.1630e+07 |
| i0_real_error | 4.6460e+05 |
| rg_reciprocal | 21.80 Å |
| i0_reciprocal | 41630000.0000 |
| total_estimate | 0.9105 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 27.9 Å |
| skewness | 0.113 |
| kurtosis | -0.482 |
| angular_range | — – 0.3600 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 12630000.0000 |
| n_real_points | 68 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.954; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.992 |