5YHA
Crystal structure of Pd(allyl)/Wild Type Polyhedra
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 103.190, 103.190, 103.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.100 - 1.580 |
| R-factor | 0.15449 |
| Rwork | 0.150 |
| R-free | 0.19656 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2oh6 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.915 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmeas | 0.763 | 3.580 |
| Number of reflections | 25159 | 8155 |
| <I/σ(I)> | 7.3 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 46.2 | 46 |
| CC(1/2) | 0.990 | 0.355 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 300 | in vivo crystallization |
