7DEN
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.150, 66.310, 63.520 |
Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
Resolution | 45.870 - 2.070 |
R-factor | 0.16881 |
Rwork | 0.166 |
R-free | 0.21542 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uhm |
RMSD bond length | 0.016 |
RMSD bond angle | 1.780 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.870 | 2.120 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.121 | 0.599 |
Number of reflections | 18557 | 2725 |
<I/σ(I)> | 7.43 | 1.93 |
Completeness [%] | 99.7 | |
Redundancy | 3.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9.5 | 293 | 20 % w/v Polyethylene glycol 8,000, 100 mM CHES pH 9.5 |