4NII

Crystal structure of AlkB D135I mutant protein with cofactors bound to dsDNA containing m6A/A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	200
Detector technology	CCD
Collection date	2013-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	41.374, 75.902, 52.285
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	37.060 - 1.622
R-factor	0.17619
Rwork	0.174
R-free	0.20855
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bie
RMSD bond length	0.012
RMSD bond angle	1.538
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.622	1.622
Number of reflections	36703
Completeness [%]		100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% PEG4000, 0.1 M sodium chloride, 0.05 M magnesium chloride, 0.1 M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K