6RCP
Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia
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 | 2018-09-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 286.035, 326.105, 164.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.514 - 3.231 |
R-factor | 0.2197 |
Rwork | 0.218 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o79 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.648 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 286.030 | 3.570 |
High resolution limit [Å] | 3.230 | 3.230 |
Rmerge | 0.199 | 1.110 |
Number of reflections | 127179 | 6359 |
<I/σ(I)> | 6.6 | |
Completeness [%] | 86.4 | |
Redundancy | 4.6 | |
CC(1/2) | 0.990 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M NaCl, 0.1 M LiSO4, 0.1 mM Tris HCl pH 8.5 and 30 % PEG400 |