8AIS
Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.786, 56.813, 105.796 |
| Unit cell angles | 90.00, 121.63, 90.00 |
Refinement procedure
| Resolution | 52.377 - 1.560 |
| Rwork | 0.178 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cg1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.458 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.380 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.092 | 0.507 |
| Rpim | 0.040 | 0.449 |
| Number of reflections | 113320 | 5312 |
| <I/σ(I)> | 9 | 1.1 |
| Completeness [%] | 98.9 | 93.7 |
| Redundancy | 4.7 | 1.9 |
| CC(1/2) | 0.998 | 0.473 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate pH 4.6, 8% PEG 4000 |
