1SK7
Structural Basis for Novel Delta-Regioselective Heme Oxygenation in the Opportunistic Pathogen Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 119 |
| Detector technology | CCD |
| Collection date | 2003-06-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.034, 51.798, 63.916 |
| Unit cell angles | 90.00, 131.04, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.273 |
| Rwork | 0.235 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j77 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.322 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.053 | 0.364 |
| Number of reflections | 30788 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 98.1 | 97.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | ammonium sulfate, tris-HCl, jeffamine 600, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
