8YYP
Crystal structure of PtmB in complex with cyclo-(L-Trp-L-Trp) and Adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 43 |
| Unit cell lengths | 84.453, 84.453, 133.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.010 - 2.600 |
| R-factor | 0.17102 |
| Rwork | 0.206 |
| R-free | 0.25690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.637 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.010 | 2.693 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.155 | |
| Number of reflections | 28724 | 2865 |
| <I/σ(I)> | 17.29 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.7 | 13.8 |
| CC(1/2) | 0.998 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Bis-Tris pH 5.5 0.2M Ammonium acetate 25% PEG3350 |
