6F9P
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Re(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1761 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.200, 98.870, 165.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.430 - 2.400 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PARROT |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.125 | 1.662 |
| Number of reflections | 58758 | |
| <I/σ(I)> | 15.15 | 1.2 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25 % PEG 4000, 0.2M Imidazole malate PH 7.0, 0.15M LI2SO4 |
