1a2u
;STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 1-N-BUTANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1a2u |
| deposition_date | 1998-01-11 |
| title | ;STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 1-N-BUTANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE ; |
| keywords | NUCLEASE, UNNATURAL AMINO ACID, HYDROLASE, ENDONUCLEASE; NUCLEASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.17 Å |
| rg_electron | 14.16 Å |
| i0 | 4866010.00 |
| molecular_weight | 15905.0 kDa |
| excluded_volume | 19995 ų |
| envelope_volume | 21515 ų |
| shell_volume | 12857 ų |
| envelope_diameter | 47.9 Å |
| shell_rg | 19.99 Å |
| envelope_rg | 14.39 Å |
| shape_rg | 14.16 Å |
| total_rg | 15.32 Å |
| total_atoms | 1376 |
| n_residues | 134 |
| 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 | 48.2 Å |
| rg_real | 15.05 Å |
| rg_real_error | 0.32 Å |
| i0_real | 4.8660e+06 |
| i0_real_error | 5.5180e+04 |
| rg_reciprocal | 15.06 Å |
| i0_reciprocal | 4866000.0000 |
| total_estimate | 0.8897 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 20.1 Å |
| skewness | 0.094 |
| kurtosis | -0.407 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 992600.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.976 |