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, |
