7W6Q
Crystal structure of a PSH1 in complex with ligand J1K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.705, 56.219, 100.628 |
| Unit cell angles | 90.00, 93.79, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7nei |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.093 |
| Number of reflections | 58352 | 9156 |
| <I/σ(I)> | 22.7 | |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.989 | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 20% PEG 8000, 0.1M imidazole pH 6.5, 20% MPD |
