9RAS
Streptococcus pyogenes GapN in complex with imidazoline-2,4-dione
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 97.153, 97.154, 100.702 |
| Unit cell angles | 76.94, 77.99, 68.28 |
Refinement procedure
| Resolution | 46.580 - 1.570 |
| R-factor | 0.1567 |
| Rwork | 0.155 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.744 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.580 | 1.626 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.070 | 0.857 |
| Rmeas | 0.082 | 0.995 |
| Rpim | 0.042 | 0.504 |
| Number of reflections | 430858 | 7656 |
| <I/σ(I)> | 12.46 | 1.5 |
| Completeness [%] | 82.2 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.999 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | BisTris buffer pH 6.7 Li2SO4 polyethylene glycol 3350 |
