7W6O
Crystal structure of a PSH1 in complex with J1K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-19 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.677, 56.193, 100.250 |
| Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.225 |
| Rwork | 0.222 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7nei |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.093 |
| Number of reflections | 58189 | 9373 |
| <I/σ(I)> | 22.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.991 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 10% Tascimate pH 4.0, 0.1M Citric acid pH 5.0, 20% PEG 3350 |
