8E2B
N-terminal domain of S. aureus GpsB
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 | 2020-04-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.520, 37.470, 79.250 |
| Unit cell angles | 90.00, 100.62, 90.00 |
Refinement procedure
| Resolution | 47.920 - 1.950 |
| R-factor | 0.1841 |
| Rwork | 0.181 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ug1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.321 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.7) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.920 | 47.880 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.078 | 0.048 | 0.212 |
| Rmeas | 0.093 | 0.059 | 0.254 |
| Rpim | 0.050 | 0.033 | 0.137 |
| Total number of observations | 827 | 4846 | |
| Number of reflections | 20772 | 256 | 1502 |
| <I/σ(I)> | 9.7 | 14.7 | 4.1 |
| Completeness [%] | 90.7 | 96.5 | 94.8 |
| Redundancy | 3.3 | 3.2 | 3.2 |
| CC(1/2) | 0.985 | 0.980 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30 % PEG 3350, 0.4 M NaCl, and 0.1 M Tris pH 8.5 |
