5FLH
Free state of Ni-quercetinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 107.692, 107.692, 144.067 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.695 - 1.802 |
| R-factor | 0.1909 |
| Rwork | 0.189 |
| R-free | 0.23000 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 46066 | |
| <I/σ(I)> | 16.5 | 1.5 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M NA-NITRATE, 0.1 M BIS-TRIS PROPANE PH 6.5 AND 12 - 14% (W/V) PEG3350 |
