8DSG
P411-PFA carbene transferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.254, 172.462, 225.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.600 - 1.870 |
| R-factor | 0.18882 |
| Rwork | 0.187 |
| R-free | 0.21795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ucw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.216 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rpim | 0.056 | 0.282 |
| Number of reflections | 147073 | 5709 |
| <I/σ(I)> | 21.6 | 2.3 |
| Completeness [%] | 91.8 | |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 mM ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 20% (w/v) PEG 3350 |
