8TFF
PorX with BeF3 phosphate analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-29 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.320, 97.518, 131.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.810 - 2.340 |
| R-factor | 0.16842 |
| Rwork | 0.165 |
| R-free | 0.23098 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.378 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.340 | 6.350 | 2.340 |
| Rmerge | 0.108 | 0.054 | 0.422 |
| Rmeas | 0.118 | 0.059 | 0.460 |
| Rpim | 0.046 | 0.024 | 0.182 |
| Total number of observations | 304993 | ||
| Number of reflections | 46485 | 2528 | 2286 |
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.6 | 6.2 | 6.3 |
| CC(1/2) | 0.985 | 0.996 | 0.918 |
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, 20% glycerol, 0.166 mM beryllium sulphate, 1.162 mM Sodium fluoride and 0.083 mM Manganese chloride |
