9GFS
PsiM in complex with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-04 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.6888 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.827, 139.317, 140.404 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.360 - 1.920 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.331 |
| Data reduction software | XDS (Jun 30, 2024) |
| Data scaling software | XDS (Jun 30, 2024) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.360 | 1.989 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.159 | 7.392 |
| Rmeas | 0.162 | 7.528 |
| Rpim | 0.031 | 1.421 |
| Number of reflections | 130216 | 12827 |
| <I/σ(I)> | 15.78 | 0.59 |
| Completeness [%] | 99.9 | 99.89 |
| Redundancy | 27.2 | 27.7 |
| CC(1/2) | 0.999 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 100 mM sodium acetate / acetic acid pH 4.5, 40% ethylene glycol |
