6NIE
BesD with Fe(II), chloride, and alpha-ketoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 194 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.358, 68.916, 79.702 |
| Unit cell angles | 115.36, 91.57, 112.95 |
Refinement procedure
| Resolution | 70.027 - 1.950 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.21590 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.982 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.030 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 149915 | 7341 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 97.3 | 95.7 |
| Redundancy | 13.6 | |
| CC(1/2) | 0.998 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1:1 volume of protein solution (10 mg/mL BesD, lysine (1.5 mM), alpha-ketoglutarate (3 mM, pH 7)) and reservoir solution (MES pH 6.5 (100 mM), sodium chloride (0.6 mM), containing 20% (v/v) PEG 4000. Soaked anaerobically in a solution containing (NH4)2Fe(SO4)2 * 6H2O (1mM), alpha-ketoglutarate (1 mM), sodium ascorbate (1 mM), lysine (1 mM), and glycerol (20% (v/v) for 30 min before flash freezing in liquid nitrogen |
