5U39
Pseudomonas aeruginosa LpxC in complex with CHIR-090
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.230, 82.880, 87.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.340 - 1.750 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p42 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.042 | 0.030 | 0.192 |
| Total number of observations | 131331 | ||
| Number of reflections | 25668 | ||
| <I/σ(I)> | 21.3 | ||
| Completeness [%] | 96.2 | 99.1 | 78.2 |
| Redundancy | 5.1 | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.34M Tri-sodium citrate, 0.1M Tris pH 8.5 |
