5U86
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-06 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 65.990, 65.990, 132.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.531 - 1.620 |
| R-factor | 0.1396 |
| Rwork | 0.139 |
| R-free | 0.15370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dro |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.899 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.531 |
| High resolution limit [Å] | 1.620 |
| Number of reflections | 41386 |
| <I/σ(I)> | 20.13 |
| Completeness [%] | 100.0 |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.25 mg/mL compound, 4 mg/mL protein, 50 mM potassium chloride, 12.5 mM HEPES pH 7.0, 1 mM dithiothreitol, 25 microM zinc sulfate, 0.5% DMSO, 1.25 M diammonium hydrogen phosphate, 0.05 M Tris pH 7.7, 2.5% Glycerol |
