8QK5
Structure of K. pneumoniae LpxH in complex with EBL-3647
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.965459 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 60.418, 60.418, 287.692 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.650 - 1.950 |
R-factor | 0.24195 |
Rwork | 0.240 |
R-free | 0.28192 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.335 |
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 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 23964 | 23964 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.9 | |
Redundancy | 7.7 | |
CC(1/2) | 0.999 | 0.652 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | Morpheus III - G11 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 3 8.5 50 % Precipitant Mix 3 |