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 |