5DRR
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-04-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.830, 73.900, 88.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.319 - 1.590 |
R-factor | 0.1802 |
Rwork | 0.179 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p3e |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.319 | 28.319 | 1.680 |
High resolution limit [Å] | 1.590 | 5.030 | 1.590 |
Rmerge | 0.026 | 0.424 | |
Rmeas | 0.057 | ||
Rpim | 0.024 | 0.013 | 0.239 |
Total number of observations | 230581 | 8387 | 30851 |
Number of reflections | 46207 | ||
<I/σ(I)> | 14.9 | 34 | 2.7 |
Completeness [%] | 98.1 | 99.4 | 95.3 |
Redundancy | 5 | 5.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate trihydrate, 2.4 - 2.6 M ammonium nitrate, |