7JSD
Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine
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 | 2020-02-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.111 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.626, 93.530, 91.339 |
| Unit cell angles | 90.00, 107.56, 90.00 |
Refinement procedure
| Resolution | 87.080 - 2.500 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nie |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.434 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.081 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.253 | 1.644 |
| Rmeas | 0.274 | |
| Number of reflections | 40203 | 3972 |
| <I/σ(I)> | 6.2 | 1.42 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.987 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | In an anaerobic chamber, equal volumes of protein solution (3 mg/mL Hydroxylase, lysine (3 mM), KG (3 mM, pH 7)) and reservoir solution (HEPES pH 7.0 (100 mM), sodium nitrate (200 mM) containing 28% (w/v) PEG 3350); Crystals were soaked with iron chloride before flash freezing |
