3I2O

Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate and methylated trinucleotide T-meA-T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Detector technology	CCD
Collection date	2006-11-15
Wavelength(s)	0.97947
Spacegroup name	P 43
Unit cell lengths	40.586, 40.586, 117.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.440 - 1.700
Rwork	0.199
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO (1.2)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.165	0.054
Number of reflections	20972
<I/σ(I)>	6.3
Completeness [%]	100.0	99.6	100
Redundancy	8.4	8.3	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350, sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K