7CW1
Crystal structure of a biodegradable plastic-degrading cutinase-like enzyme from the phyllosphere yeast, Pseudozyma antarctica, solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.065, 61.587, 110.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.190 - 1.700 |
| R-factor | 0.1576 |
| Rwork | 0.156 |
| R-free | 0.19110 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.684 |
| Data reduction software | xia2 (0.6.2) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | CRANK2 (2.0.229) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.190 | 55.190 | 1.730 |
| High resolution limit [Å] | 1.700 | 8.990 | 1.700 |
| Rmerge | 0.117 | 0.028 | 0.487 |
| Rmeas | 0.122 | 0.030 | 0.507 |
| Rpim | 0.034 | 0.008 | 0.139 |
| Total number of observations | 428388 | 3217 | 21753 |
| Number of reflections | 33315 | 285 | 1688 |
| <I/σ(I)> | 17 | 35 | 5 |
| Completeness [%] | 98.3 | 99.5 | 96 |
| Redundancy | 12.9 | 11.3 | 12.9 |
| CC(1/2) | 0.998 | 1.000 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.17M Sodium acetate trihydrate, 0.085M Sodium cacodylate trihydrate , 25.5%w/v Polyethylene glycol 8000, 15%w/v Polyethylene glycol 400 |
