1daj
;COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1daj |
| deposition_date | 1997-07-29 |
| title | ;COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE ; |
| keywords | OXIDOREDUCTASE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.96 Å |
| rg_electron | 16.63 Å |
| i0 | 11275000.00 |
| molecular_weight | 25076.0 kDa |
| excluded_volume | 31435 ų |
| envelope_volume | 35419 ų |
| shell_volume | 17453 ų |
| envelope_diameter | 56.4 Å |
| shell_rg | 23.15 Å |
| envelope_rg | 17.07 Å |
| shape_rg | 16.61 Å |
| total_rg | 17.72 Å |
| total_atoms | 1766 |
| n_residues | 206 |
| 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 | 57.4 Å |
| rg_real | 17.82 Å |
| rg_real_error | 0.35 Å |
| i0_real | 1.1280e+07 |
| i0_real_error | 1.3970e+05 |
| rg_reciprocal | 17.83 Å |
| i0_reciprocal | 11280000.0000 |
| total_estimate | 0.8850 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 24.1 Å |
| skewness | 0.096 |
| kurtosis | -0.408 |
| angular_range | — – 0.4450 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2405000.0000 |
| n_real_points | 75 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.997 |