9ENG
Structure of K.pneumoniae LpxH in complex with EBL-3218
This is a non-PDB format compatible entry.
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 | 2020-06-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 60.604, 60.604, 287.228 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.910 - 2.200 |
| R-factor | 0.23883 |
| Rwork | 0.236 |
| R-free | 0.30274 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.273 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 17034 | 17034 |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 1 6.5 50 % Precipitant Mix 2 |
