9r71
Crystal structure of E. coli Adenylate kinase E114A mutant in complex with inhibitor Ap5a.
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9r71 |
| deposition_date | 2025-05-13 |
| title | Crystal structure of E. coli Adenylate kinase E114A mutant in complex with inhibitor Ap5a. |
| keywords | ADENYLATE KINASE, E114A mutant, AP5A, PROTEIN DYNAMICS, TRANSFERASE; TRANSFERASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 26.14 Å |
| rg_electron | 25.60 Å |
| i0 | 42985600.00 |
| molecular_weight | 48883.0 kDa |
| excluded_volume | 60497 ų |
| envelope_volume | 75677 ų |
| shell_volume | 24989 ų |
| envelope_diameter | 85.6 Å |
| shell_rg | 32.40 Å |
| envelope_rg | 25.44 Å |
| shape_rg | 25.60 Å |
| total_rg | 26.34 Å |
| total_atoms | 3418 |
| n_residues | 428 |
| 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 | 82.3 Å |
| rg_real | 26.21 Å |
| rg_real_error | 0.60 Å |
| i0_real | 4.2990e+07 |
| i0_real_error | 6.4390e+05 |
| rg_reciprocal | 26.19 Å |
| i0_reciprocal | 42990000.0000 |
| total_estimate | 0.8950 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 25.6 Å |
| skewness | 0.335 |
| kurtosis | -0.636 |
| angular_range | — – 0.3050 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 8015000.0000 |
| n_real_points | 62 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.937; Smooth: 0.964 |