8HP2
CtPDC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-06 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.471, 85.295, 113.534 |
Unit cell angles | 90.00, 120.71, 90.00 |
Refinement procedure
Resolution | 47.200 - 3.050 |
R-factor | 0.23502 |
Rwork | 0.233 |
R-free | 0.28476 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vjy |
RMSD bond length | 0.003 |
RMSD bond angle | 1.226 |
Data scaling software | Aimless |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 3.260 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.143 | 0.558 |
Number of reflections | 17253 | 3217 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 89.3 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium malonate pH 5.5, 18% Polyethylene glycol 3350 |