1ede
REFINED X-RAY STRUCTURES OF HALOALKANE DEHALOGENASE AT PH 6.2 AND PH 8.2 AND IMPLICATIONS FOR THE REACTION MECHANISM
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ede |
| deposition_date | 1993-05-13 |
| title | REFINED X-RAY STRUCTURES OF HALOALKANE DEHALOGENASE AT PH 6.2 AND PH 8.2 AND IMPLICATIONS FOR THE REACTION MECHANISM |
| keywords | DEHALOGENASE; DEHALOGENASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.44 Å |
| rg_electron | 17.90 Å |
| i0 | 20405700.00 |
| molecular_weight | 35127.0 kDa |
| excluded_volume | 44055 ų |
| envelope_volume | 48430 ų |
| shell_volume | 21627 ų |
| envelope_diameter | 57.2 Å |
| shell_rg | 25.18 Å |
| envelope_rg | 18.14 Å |
| shape_rg | 17.89 Å |
| total_rg | 18.91 Å |
| total_atoms | 2479 |
| n_residues | 310 |
| 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 | 56.4 Å |
| rg_real | 19.25 Å |
| rg_real_error | 0.25 Å |
| i0_real | 2.0410e+07 |
| i0_real_error | 2.3790e+05 |
| rg_reciprocal | 19.28 Å |
| i0_reciprocal | 20410000.0000 |
| total_estimate | 0.7055 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 2 |
| r_peak_primary | 25.4 Å |
| skewness | 0.007 |
| kurtosis | -0.533 |
| angular_range | — – 0.4100 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 8176000.0000 |
| n_real_points | 72 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 0.132; Positv: 1.000; Valcen: 0.966; Smooth: 0.984 |