4J3D
Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 200 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.762, 156.878, 49.334 |
Unit cell angles | 90.00, 102.40, 90.00 |
Refinement procedure
Resolution | 156.878 - 2.000 |
R-factor | 0.2047 |
Rwork | 0.201 |
R-free | 0.28110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.433 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 156.878 | 2.050 |
High resolution limit [Å] | 1.830 | 2.000 |
Number of reflections | 35689 | |
Completeness [%] | 90.0 | 92.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 13-18% P3350, 15-75mM CaCl2, 4% Isopropanol and 0.1M HEPES pH 7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |