8SOT
Structure of the PPIase domain of borrelial BB0108
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.968, 38.835, 53.681 |
| Unit cell angles | 90.00, 106.00, 90.00 |
Refinement procedure
| Resolution | 31.470 - 1.990 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.470 | 2.063 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.060 | 0.270 |
| Rmeas | 0.070 | 0.320 |
| Rpim | 0.040 | 0.170 |
| Number of reflections | 13591 | 1297 |
| <I/σ(I)> | 13.52 | 3.67 |
| Completeness [%] | 96.5 | 92.17 |
| Redundancy | 3.1 | 3.2 |
| CC(1/2) | 0.996 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 288.15 | 10% 2 propanol, 0.1M Bicine, 30% PEG1500 |
