8EHC
Structure of Tannerella forsythia selenomethionine-derivatized potempin E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.130, 71.350, 39.150 |
| Unit cell angles | 90.00, 89.92, 90.00 |
Refinement procedure
| Resolution | 37.130 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.25100 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.300 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.430 |
| Rmeas | 0.083 | 0.589 |
| Number of reflections | 25564 | 2008 |
| <I/σ(I)> | 8.7 | 2.1 |
| Completeness [%] | 94.2 | 99.3 |
| Redundancy | 1.8 | 3.3 |
| CC(1/2) | 1.000 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Selenomethionine-derivatised PotE at 10 mg/mL in 50 mM sodium chloride, 5 mM Tris-HCl pH 8.0 was crystallised from 20% (w/v) PEG 1,000, 100 mM Tris-HCl pH 8.5 |
