9KB4
The structure of the PpOngB-citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.286, 88.286, 143.524 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.320 - 1.850 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.846 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.480 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.115 | |
| Number of reflections | 54864 | 59787 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 97.3 | 91.4 |
| Redundancy | 1 | |
| CC(1/2) | 0.990 | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.5 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate (pH 6.0) and 1.0 M lithium sulfate monohydrate |
