5U1H
Crystal structure of the C-terminal peptidoglycan binding domain of OprF (PA1777) from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.340, 55.920, 79.080 |
| Unit cell angles | 90.00, 107.78, 90.00 |
Refinement procedure
| Resolution | 31.232 - 1.500 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3td4 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.928 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.230 | 31.230 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.080 | 0.055 | 0.605 |
| Rmeas | 0.090 | 0.062 | 0.692 |
| Rpim | 0.039 | 0.028 | 0.328 |
| Total number of observations | 346742 | 3786 | 20744 |
| Number of reflections | 69727 | ||
| <I/σ(I)> | 11.6 | 23.9 | 2.3 |
| Completeness [%] | 98.2 | 98.5 | 95.5 |
| Redundancy | 5 | 4.5 | 4.1 |
| CC(1/2) | 0.997 | 0.995 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 294 | ammonium sulphate 2.5M, Na Acetate 0.1M |
