7DEM
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-12 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54056 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.854, 66.306, 63.542 |
Unit cell angles | 90.00, 90.63, 90.00 |
Refinement procedure
Resolution | 63.540 - 1.900 |
R-factor | 0.19617 |
Rwork | 0.194 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uhm |
RMSD bond length | 0.019 |
RMSD bond angle | 1.949 |
Data reduction software | CrysalisPro (40.53) |
Data scaling software | CrysalisPro (40.53) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.540 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.154 | 0.438 |
Number of reflections | 23367 | 2343 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.1 | |
Redundancy | 5 |
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 |