8HUC
Crystal structure of PaIch (Pec1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-01 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.5 |
Spacegroup name | P 1 |
Unit cell lengths | 65.312, 66.197, 77.462 |
Unit cell angles | 102.45, 95.07, 101.06 |
Refinement procedure
Resolution | 27.586 - 1.984 |
R-factor | 0.1831 |
Rwork | 0.182 |
R-free | 0.22060 |
Structure solution method | MIR |
RMSD bond length | 0.012 |
RMSD bond angle | 1.168 |
Data reduction software | PROTEUM (v3.0) |
Data scaling software | PROTEUM (v3.0) |
Phasing software | AutoSol |
Refinement software | PHENIX (v1.14) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.760 | 2.050 |
High resolution limit [Å] | 1.900 | 1.980 |
Rmeas | 0.130 | |
Number of reflections | 83791 | 7025 |
<I/σ(I)> | 19.2 | |
Completeness [%] | 98.2 | |
Redundancy | 18.86 | |
CC(1/2) | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% (w/v) PEG 3350, 200mM Potassium nitrate |