6Y0Q

Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment 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	36.399, 39.078, 40.840
Unit cell angles	78.99, 78.04, 66.88

Refinement procedure

Resolution	39.660 - 1.750
R-factor	0.165
Rwork	0.162
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jht
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	DIALS (1.8)
Data scaling software	DIALS (1.8)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.700	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	20346	1028
<I/σ(I)>	37.21	2.81
Completeness [%]	100.0	100
Redundancy	57.57	10.6
CC(1/2)	0.977	0.255

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 formate