9BJV
Crystal structure of hypothetical protein PA5083 from Pseudomonas aeruginosa Sulfur SAD phased
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-16 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 75.329, 75.329, 139.392 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.660 - 1.800 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.19160 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.821 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.033 | 0.316 |
| Rmeas | 0.034 | 0.350 |
| Rpim | 0.008 | |
| Number of reflections | 22679 | 686 |
| <I/σ(I)> | 87.179 | 4.378 |
| Completeness [%] | 97.3 | 77.3 |
| Redundancy | 16.6 | 5.2 |
| CC(1/2) | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M BIS-TRIS pH 5.5, 2.0 M Ammonium sulfate |
