5YHB
Crystal structure of Pd(allyl)/polyhedra mutant with deletion of Gly192-Ala194
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 | 105.920, 105.920, 105.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.200 - 2.080 |
| R-factor | 0.19371 |
| Rwork | 0.188 |
| R-free | 0.24367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gqk |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.762 |
| 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 | 2.210 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmeas | 0.908 | 14.800 |
| Number of reflections | 12029 | 3781 |
| <I/σ(I)> | 9.78 | 0.95 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 68.9 | 69.1 |
| CC(1/2) | 0.994 | 0.386 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 300 | in vivo crystallization |
