3IPF
Crystal structure of the Q251Q8_DESHY protein from Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR8c.
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 | 2009-03-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97839 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 69.796, 69.796, 132.161 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.741 - 1.988 |
| R-factor | 0.1984 |
| Rwork | 0.197 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | calculated CS Rosetta structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.565 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.988 | 2.000 |
| Rmerge | 0.128 | 0.837 |
| Number of reflections | 24675 | |
| <I/σ(I)> | 26.3 | 2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13.7 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under paraffin oil | 293 | 20% PEG 3350, 0.2M tri-lithium citrate, microbatch under paraffin oil, temperature 293K |
