9pyl
Crystal structure of Zn(II)-bound ZETA_2
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9pyl |
| deposition_date | 2025-08-07 |
| title | Crystal structure of Zn(II)-bound ZETA_2 |
| keywords | de novo design, RFdiffusion2, AlphaFold3, zinc metallohydrolases, De novo enzyme design, DE NOVO PROTEIN; DE NOVO PROTEIN |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 20.97 Å |
| rg_electron | 20.27 Å |
| i0 | 14551800.00 |
| molecular_weight | 28365.0 kDa |
| excluded_volume | 35409 ų |
| envelope_volume | 42403 ų |
| shell_volume | 18356 ų |
| envelope_diameter | 70.1 Å |
| shell_rg | 25.76 Å |
| envelope_rg | 20.33 Å |
| shape_rg | 20.25 Å |
| total_rg | 21.12 Å |
| total_atoms | 1999 |
| n_residues | 247 |
| 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 | 70.6 Å |
| rg_real | 21.03 Å |
| rg_real_error | 0.45 Å |
| i0_real | 1.4550e+07 |
| i0_real_error | 1.9360e+05 |
| rg_reciprocal | 21.02 Å |
| i0_reciprocal | 14550000.0000 |
| total_estimate | 0.8764 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 22.5 Å |
| skewness | 0.457 |
| kurtosis | -0.198 |
| angular_range | — – 0.3800 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 3852000.0000 |
| n_real_points | 70 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.954; Smooth: 0.983 |