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