5T6O
Structure of the catalytic domain of the class I polyhydroxybutyrate synthase from Cupriavidus necator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.080, 87.820, 137.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.950 - 1.800 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.19970 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS (20141103) |
| Data scaling software | XSCALE (20141103) |
| Phasing software | SHELXDE (97-2.20090721) |
| Refinement software | PHENIX (1.8.4-1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 40649 | |
| <I/σ(I)> | 25.76 | 2.24 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 1.000 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.9 M ammonium sulfate, 0.1 M HEPES pH 7 |
