6R7U
Selenomethionine variant of Tannerella forsythia promirolysin mutant E225A
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 | 2018-11-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.2815 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.780, 79.210, 75.500 |
| Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
| Resolution | 44.970 - 1.600 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cki |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.400 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 70233 | 11622 |
| <I/σ(I)> | 10.9 | 2.4 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Selenomethionine-derivatized promirolysin crystals were obtained at 20 degrees from drops containing 200 nL of protein solution at 0.6 mg/mL in 5 mM Tris-HCl pH 8.0, 50 mM sodium chloride and 100 nL of reservoir solution, which comprised 25% PEG 1500, 0.1 M MIB buffer (malonic acid, imidazole and boric acid at a 2:3:3 molar ratio), pH 6.0. |
