1c5h
;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 | 1c5h |
| 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, X-RAY CYRSTALLOGRAPHY, ISOTOPE SHIFT, SHORT HYDROGEN BONDS, XYLAN, HYDROLASE ;; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 16.31 Å |
| rg_electron | 14.93 Å |
| i0 | 8271110.00 |
| molecular_weight | 20398.0 kDa |
| excluded_volume | 25088 ų |
| envelope_volume | 27058 ų |
| shell_volume | 14993 ų |
| envelope_diameter | 46.6 Å |
| shell_rg | 21.22 Å |
| envelope_rg | 15.08 Å |
| shape_rg | 14.89 Å |
| total_rg | 16.09 Å |
| total_atoms | 1448 |
| 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 | 48.1 Å |
| rg_real | 16.15 Å |
| rg_real_error | 0.19 Å |
| i0_real | 8.2710e+06 |
| i0_real_error | 7.6000e+04 |
| rg_reciprocal | 16.16 Å |
| i0_reciprocal | 8271000.0000 |
| total_estimate | 0.9043 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 22.2 Å |
| skewness | -0.013 |
| kurtosis | -0.538 |
| angular_range | — – 0.4900 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2359000.0000 |
| n_real_points | 79 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.930; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.994 |