8TED
PorX primitive orthorhombic crystal form
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.696, 97.849, 133.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.400 - 2.100 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.22563 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.160 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.091 | 0.573 |
Rmeas | 0.098 | 0.620 |
Rpim | 0.038 | 0.234 |
Total number of observations | 434300 | 31100 |
Number of reflections | 65014 | 4531 |
<I/σ(I)> | 13.7 | 3.5 |
Completeness [%] | 99.6 | |
Redundancy | 6.7 | 6.9 |
CC(1/2) | 0.998 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4% polyethylene glycol 8000 and 20% glycerol, 0.5 M sodium bromide |