9WQX
aminoacyl-tRNA-dependent peptide synthase, Sbb17, complexed with streptothrisamine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-06 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.08000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 63.066, 182.037, 71.292 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.510 - 2.500 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9wqw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.720 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.129 | 0.693 |
| Number of reflections | 14623 | 1611 |
| <I/σ(I)> | 11.6 | 2.9 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 7.5 | 7.7 |
| CC(1/2) | 0.995 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 297 | 0.1 M Tris-HCl, pH 8.7, 21% (w/v) PEG8000, 0.25 M KF |
