6QH8
Structure of knotted YibK from P. aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.932, 85.726, 167.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.167 - 2.200 |
| R-factor | 0.1877 |
| Rwork | 0.185 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mxi |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.170 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.134 | |
| Number of reflections | 36646 | 5693 |
| <I/σ(I)> | 15.4 | 2.24 |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 13.1 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.3 M ammonium sulfate, 0.1 M MES buffer (pH 6.0), 25% polyethylene glycol monomethyl ether (PEG MME) 5000 |
