6YPV

Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96863
Spacegroup name	P 1
Unit cell lengths	37.037, 39.107, 40.860
Unit cell angles	78.14, 76.04, 66.51

Refinement procedure

Resolution	39.350 - 2.100
R-factor	0.2225
Rwork	0.219
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jht
RMSD bond length	0.004
RMSD bond angle	0.531
Data reduction software	DIALS (1.8)
Data scaling software	DIALS (1.8)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.350	2.136
High resolution limit [Å]	2.100	2.100
Number of reflections	11994	593
<I/σ(I)>	48.4	8.795
Completeness [%]	100.0
Redundancy	25.8
CC(1/2)	0.874	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	25% w/v PEG 3350, 5% v/v glycerol and 200 mM sodium ormate