4SGB
STRUCTURE OF THE COMPLEX OF STREPTOMYCES GRISEUS PROTEINASE B AND POLYPEPTIDE CHYMOTRYPSIN INHIBITOR-1 FROM RUSSET BURBANK POTATO TUBERS AT 2.1 ANGSTROMS RESOLUTION
X-RAY DIFFRACTION
Crystallization
| Crystal Properties | |
|---|---|
| Matthews coefficient | Solvent content |
| 2.27 | 45.93 |
Crystal Data
| Unit Cell | |
|---|---|
| Length ( Å ) | Angle ( ˚ ) |
| a = 50.92 | α = 90 |
| b = 46.2 | β = 117.08 |
| c = 52.53 | γ = 90 |
| Symmetry | |
|---|---|
| Space Group | P 1 21 1 |
Refinement
| Statistics | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Diffraction ID | Structure Solution Method | Resolution (High) | Resolution (Low) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Factor (Observed) | R-Work | R-Free | Mean Isotropic B | |||||||||
| X-RAY DIFFRACTION | 2.1 | 8 | 12685 | 0.142 | |||||||||||||||
| Temperature Factor Modeling | ||||||
|---|---|---|---|---|---|---|
| Anisotropic B[1][1] | Anisotropic B[1][2] | Anisotropic B[1][3] | Anisotropic B[2][2] | Anisotropic B[2][3] | Anisotropic B[3][3] | |
| RMS Deviations | |
|---|---|
| Key | Refinement Restraint Deviation |
| p_planar_tor | 2.4 |
| p_chiral_restr | 0.213 |
| p_singtor_nbd | 0.203 |
| p_multtor_nbd | 0.153 |
| p_xhyhbond_nbd | 0.143 |
| p_angle_d | 0.04 |
| p_planar_d | 0.037 |
| p_bond_d | 0.014 |
| p_plane_restr | 0.014 |
| p_angle_deg | |
| Non-Hydrogen Atoms Used in Refinement | |
|---|---|
| Non-Hydrogen Atoms | Number |
| Protein Atoms | 1690 |
| Nucleic Acid Atoms | |
| Solvent Atoms | 179 |
| Heterogen Atoms | 11 |
Software
| Software | |
|---|---|
| Software Name | Purpose |
| PROLSQ | refinement |
