1bls
;CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1bls |
| deposition_date | 1993-12-17 |
| title | ;CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG ; |
| keywords | HYDROLASE (ACTING IN CYCLIC AMIDES); HYDROLASE (ACTING IN CYCLIC AMIDES) |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 32.82 Å |
| rg_electron | 32.35 Å |
| i0 | 93483500.00 |
| molecular_weight | 78656.0 kDa |
| excluded_volume | 98997 ų |
| envelope_volume | 125930 ų |
| shell_volume | 32014 ų |
| envelope_diameter | 103.5 Å |
| shell_rg | 39.60 Å |
| envelope_rg | 31.84 Å |
| shape_rg | 32.37 Å |
| total_rg | 32.90 Å |
| total_atoms | 5532 |
| n_residues | 718 |
| 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 | 102.6 Å |
| rg_real | 32.90 Å |
| rg_real_error | 1.05 Å |
| i0_real | 9.3480e+07 |
| i0_real_error | 1.6220e+06 |
| rg_reciprocal | 32.87 Å |
| i0_reciprocal | 93480000.0000 |
| total_estimate | 0.8715 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 27.8 Å |
| skewness | 0.240 |
| kurtosis | -0.879 |
| angular_range | — – 0.2400 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 33010000.0000 |
| n_real_points | 49 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.843; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.890; Smooth: 0.905 |