10PA
Crystal structure of SdrD A2-A3 domains from Staphylococcus aureus JH1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-09-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.523, 73.148, 198.705 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.570 - 1.920 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.838 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.600 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.058 | 0.846 |
| Rmeas | 0.065 | 0.990 |
| Rpim | 0.029 | 0.501 |
| Number of reflections | 39344 | 1851 |
| <I/σ(I)> | 29.2 | 1.2 |
| Completeness [%] | 98.8 | 94.3 |
| Redundancy | 5 | 3.4 |
| CC(1/2) | 0.997 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 0.2 M calcium chloride and 20% (w/v) PEG 3350 |
