8QK2
Structure of K.pneumoniae LpxH in complex with EBL-3339
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 | 2020-09-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 60.204, 60.204, 286.779 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.960 - 1.950 |
| R-factor | 0.22506 |
| Rwork | 0.224 |
| R-free | 0.25271 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.199 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 1.672 |
| Rmeas | 0.094 | |
| Rpim | 0.028 | 0.507 |
| Number of reflections | 21114 | 21114 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 88.5 | |
| Redundancy | 20 | |
| CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | Morpheus III screen, G6 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 2 7.5 50 % Precipitant Mix 2 |
