6W0V
The Crystal Structure of the Mutant Nuclease Domain of Pyocin S8 with its Cognate Immunity Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-10-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.458660 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.178, 47.071, 99.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.983 - 1.381 |
| Rwork | 0.178 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uhp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.452 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.038 | 0.403 |
| Rpim | 0.012 | 0.296 |
| Number of reflections | 37296 | 648 |
| <I/σ(I)> | 30.4 | 1.7 |
| Completeness [%] | 89.6 | 32.1 |
| Redundancy | 9 | 1.7 |
| CC(1/2) | 1.000 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291.15 | Sodium Acetate 0.2M, PEG 4000 30%, Tris-HCl 0.1M pH 8.0 |
