8C65
Crystal structure of cutinase AdCut from Acidovorax delafieldii (PBS depolymerase)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.798, 96.430, 58.525 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 54.626 - 1.491 |
| Rwork | 0.175 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.518 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.626 | 1.594 |
| High resolution limit [Å] | 1.491 | 1.491 |
| Rmerge | 0.195 | 1.262 |
| Rpim | 0.080 | 0.508 |
| Number of reflections | 39403 | 1971 |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 78.1 | 65.5 |
| Redundancy | 6.7 | 7 |
| CC(1/2) | 0.995 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % PEG 3350, 0.2 M ammonium citrate dibasic |
