3DKQ
Crystal structure of Putative Oxygenase (YP_001051978.1) from SHEWANELLA BALTICA OS155 at 2.26 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-16 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97932,0.97918 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 153.452, 153.452, 84.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.855 - 2.260 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23200 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.643 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.855 | 2.320 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.119 | 0.871 |
| Number of reflections | 47944 | |
| <I/σ(I)> | 5.8 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | 1.0M Imidazole, pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 7.00 |
