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 |