1c5i
;HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1c5i |
| deposition_date | 1999-11-24 |
| title | ;HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE ; |
| keywords | GLYCOSIDASE, PH-DEPENDENT ENZYME MECHANISM, GENERAL ACID/ BASE CATALYSIS, ISOTOPE SHIFT, SHORT HYDROGEN BONDS, XYLAN, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 16.25 Å |
| rg_electron | 14.87 Å |
| i0 | 8429990.00 |
| molecular_weight | 20667.0 kDa |
| excluded_volume | 25422 ų |
| envelope_volume | 27014 ų |
| shell_volume | 14980 ų |
| envelope_diameter | 47.0 Å |
| shell_rg | 21.20 Å |
| envelope_rg | 15.07 Å |
| shape_rg | 14.83 Å |
| total_rg | 16.01 Å |
| total_atoms | 1466 |
| n_residues | 185 |
| 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 | 16.08 Å |
| rg_real_error | 0.19 Å |
| i0_real | 8.4300e+06 |
| i0_real_error | 8.5480e+04 |
| rg_reciprocal | 16.10 Å |
| i0_reciprocal | 8430000.0000 |
| total_estimate | 0.9036 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 22.2 Å |
| skewness | -0.006 |
| kurtosis | -0.532 |
| angular_range | — – 0.4900 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2564000.0000 |
| n_real_points | 79 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.997 |