7CY9
Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9 solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.886, 43.517, 51.724 |
| Unit cell angles | 103.78, 92.42, 101.49 |
Refinement procedure
| Resolution | 36.690 - 1.360 |
| R-factor | 0.1242 |
| Rwork | 0.122 |
| R-free | 0.16590 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.059 |
| Data reduction software | xia2 (0.6.0) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.690 | 36.690 | 1.380 |
| High resolution limit [Å] | 1.360 | 7.190 | 1.360 |
| Rmerge | 0.064 | 0.032 | 0.334 |
| Rmeas | 0.074 | 0.039 | 0.389 |
| Rpim | 0.037 | 0.021 | 0.198 |
| Total number of observations | 218677 | 1429 | 10802 |
| Number of reflections | 55832 | 386 | 2847 |
| <I/σ(I)> | 16.2 | 39.5 | 4.1 |
| Completeness [%] | 89.9 | 92.3 | 86.7 |
| Redundancy | 3.9 | 3.7 | 3.8 |
| CC(1/2) | 0.998 | 0.996 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Sodium acetate, 0.1M Sodium cacodylate, 1mM Calcium chloride, 30% w/v Polyethylene glycol 8000 |
