8AIT
Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis
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 | 2018-03-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.100, 52.900, 56.748 |
| Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
| Resolution | 41.367 - 1.240 |
| Rwork | 0.214 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cg1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.707 |
| 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] | 52.900 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.097 | 0.483 |
| Rpim | 0.063 | 0.314 |
| Number of reflections | 69263 | 3366 |
| <I/σ(I)> | 6.1 | 2 |
| Completeness [%] | 99.6 | 96.6 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.991 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium acetate 4.5, 50 % w/v PEG 400, 0.2 M Lithium sulfate |
