8TFM
PorX with Zn (primitive orthorhombic crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.283 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.868, 97.058, 132.037 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.580 - 2.720 |
| R-factor | 0.20717 |
| Rwork | 0.204 |
| R-free | 0.26111 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.770 |
| High resolution limit [Å] | 2.720 | 7.380 | 2.720 |
| Rmerge | 0.113 | 0.040 | 0.829 |
| Rmeas | 0.118 | 0.042 | 0.870 |
| Rpim | 0.033 | 0.012 | 0.257 |
| Total number of observations | 404150 | ||
| Number of reflections | 31924 | 1753 | 1512 |
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 99.8 | 99.9 | 97.7 |
| Redundancy | 12.7 | 12.5 | 10.5 |
| CC(1/2) | 0.998 | 0.999 | 0.901 |
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, 25% glycerol and 0.2 mM Zinc chloride |
