8E2C
N-terminal domain of S. aureus GpsB in complex with PBP4 fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.350, 73.760, 42.370 |
| Unit cell angles | 90.00, 103.56, 90.00 |
Refinement procedure
| Resolution | 36.910 - 2.400 |
| R-factor | 0.2235 |
| Rwork | 0.220 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ug3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.315 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.190 | 41.190 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.101 | 0.087 | 0.434 |
| Rmeas | 0.113 | 0.100 | 0.483 |
| Rpim | 0.048 | 0.048 | 0.206 |
| Total number of observations | 34441 | 654 | 3670 |
| Number of reflections | 6596 | 131 | 711 |
| <I/σ(I)> | 10.8 | 17.5 | 4.9 |
| Completeness [%] | 95.7 | 92.2 | 96.6 |
| Redundancy | 5.2 | 5 | 5.2 |
| CC(1/2) | 0.991 | 0.990 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25 % PEG 4000, 0.1 M Tris pH 8.0, and 0.2 M Na Acetate |
