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 |