1e3r
;Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1e3r |
| deposition_date | 2000-06-22 |
| title | ;Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one ; |
| keywords | ISOMERASE, KSI KETOSTEROIED ISOMERASE, LBHB, ANDROSTEN-3BETA-OL-17-ONE; ISOMERASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.45 Å |
| rg_electron | 18.26 Å |
| i0 | 14652500.00 |
| molecular_weight | 28334.0 kDa |
| excluded_volume | 35251 ų |
| envelope_volume | 40095 ų |
| shell_volume | 18320 ų |
| envelope_diameter | 60.1 Å |
| shell_rg | 24.52 Å |
| envelope_rg | 18.69 Å |
| shape_rg | 18.27 Å |
| total_rg | 19.14 Å |
| total_atoms | 1986 |
| n_residues | 251 |
| 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 | 66.9 Å |
| rg_real | 19.36 Å |
| rg_real_error | 0.42 Å |
| i0_real | 1.4650e+07 |
| i0_real_error | 1.7110e+05 |
| rg_reciprocal | 19.37 Å |
| i0_reciprocal | 14650000.0000 |
| total_estimate | 0.6905 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 1 |
| r_peak_primary | 24.5 Å |
| skewness | 0.218 |
| kurtosis | -0.418 |
| angular_range | — – 0.4100 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2851000.0000 |
| n_real_points | 72 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.770; Stabil: 1.000; Sysdev: 0.226; Positv: 1.000; Valcen: 0.986; Smooth: 1.000 |