6RD3
Crystal structure of the wild type OmpK36 from Klebsiella pneumonia
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.090, 316.090, 73.790 |
Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
Resolution | 53.197 - 1.980 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o79 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.834 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.200 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.023 | 0.134 |
Number of reflections | 169857 | 8440 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000 |