9RB1
Streptococcus pyogenes GapN in complex with 2-cyanoacetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-29 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 |
| Unit cell lengths | 98.517, 99.583, 104.162 |
| Unit cell angles | 77.66, 75.94, 67.67 |
Refinement procedure
| Resolution | 47.920 - 1.610 |
| R-factor | 0.1589 |
| Rwork | 0.157 |
| R-free | 0.19320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.719 |
| 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] | 47.920 | 1.668 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.075 | 1.035 |
| Rmeas | 1.247 | |
| Rpim | 0.048 | 0.686 |
| Number of reflections | 437149 | 1875 |
| <I/σ(I)> | 10.2 | 1.12 |
| Completeness [%] | 70.6 | 4.11 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.998 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | BisTris buffer pH 6.7 Li2SO4 polyethylene glycol 3350 |
