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 |