3MJQ
Crystal structure of the PAS domain of Q24QT8_DESHY protein from Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR85c.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 49.609, 49.609, 190.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.402 - 2.601 |
| R-factor | 0.239 |
| Rwork | 0.237 |
| R-free | 0.27830 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.566 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.115 | 0.676 |
| Number of reflections | 7832 | |
| <I/σ(I)> | 19.9 | 1.98 |
| Completeness [%] | 98.2 | 96.7 |
| Redundancy | 6.7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under paraffin oil | 8.5 | 291 | 30% PEG 4000, 0.2M magnesium chloride, 0.1M Tris, pH 8.5, microbatch under paraffin oil, temperature 291K |
