9RAU
Streptococcus pyogenes GapN in complex with pyrimidine-5-amine
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 | 2022-03-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 97.764, 98.946, 103.032 |
| Unit cell angles | 78.04, 75.63, 67.01 |
Refinement procedure
| Resolution | 44.220 - 1.770 |
| R-factor | 0.1771 |
| Rwork | 0.175 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.598 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.220 | 1.833 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.174 | 2.187 |
| Rmeas | 0.203 | 2.556 |
| Rpim | 0.104 | 1.315 |
| Number of reflections | 310076 | 2762 |
| <I/σ(I)> | 6.64 | 0.61 |
| Completeness [%] | 67.5 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.993 | 0.238 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | BisTris buffer pH 6.7 Li2SO4 polyethylene glycol 3350 |
