8FEK
Crystal structure of PBP cyclase Ulm16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 273.15 |
| Detector technology | PIXEL |
| Collection date | 2022-05-20 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.822, 67.871, 56.779 |
| Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
| Resolution | 32.800 - 2.058 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.632 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.058 | 4.460 | 2.070 |
| Rmerge | 0.060 | 0.676 | |
| Rmeas | 0.156 | 0.785 | |
| Rpim | 0.065 | 0.328 | |
| Number of reflections | 43075 | 4246 | 4327 |
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 97.9 | 96.3 | 98.3 |
| Redundancy | 3 | 3 | 3.1 |
| CC(1/2) | 0.984 | 0.505 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294.15 | 100 mM Tris hydrochloride pH 8.5, 200 mM Sodium acetate trihydrate, 30% w/v PEG4000 |
