9IW9
Crystal Structure of KbPETase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-25 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.496, 104.798, 71.020 |
| Unit cell angles | 90.00, 93.83, 90.00 |
Refinement procedure
| Resolution | 31.330 - 1.750 |
| R-factor | 0.1642 |
| Rwork | 0.164 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.598 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.330 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.066 | 0.544 |
| Rpim | 0.046 | 0.370 |
| Number of reflections | 164893 | 8687 |
| <I/σ(I)> | 13.42 | 3.54 |
| Completeness [%] | 97.0 | |
| Redundancy | 2.9 | |
| CC(1/2) | 0.997 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 28-34% Polyethylene glycol 3000, 0.1 M HEPES |
