7AO5
Crystal structure of CotB2 variant W288F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-21 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.117, 107.575, 61.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.490 - 2.060 |
| R-factor | 0.1862 |
| Rwork | 0.183 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4omg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.987 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmeas | 0.252 | 1.663 |
| Number of reflections | 42357 | 6752 |
| <I/σ(I)> | 6 | 1 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 5.6 | 5 |
| CC(1/2) | 0.993 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris/HCl pH 8.5 13.5% (w/v) PEG3350 0.1 M MgCl2 |
