8HP4
CtPDC complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-15 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54178 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 116.420, 87.550, 118.260 |
Unit cell angles | 90.00, 114.06, 90.00 |
Refinement procedure
Resolution | 43.780 - 2.520 |
R-factor | 0.20947 |
Rwork | 0.207 |
R-free | 0.25368 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vjy |
RMSD bond length | 0.004 |
RMSD bond angle | 1.301 |
Data reduction software | Aimless |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.780 | 2.620 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.516 | |
Number of reflections | 35596 | 3757 |
<I/σ(I)> | 7.1 | |
Completeness [%] | 96.7 | |
Redundancy | 2.5 | |
CC(1/2) | 0.967 |
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 |