3I3M

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Detector technology	CCD
Collection date	2006-01-01
Wavelength(s)	0.97947
Spacegroup name	P 43
Unit cell lengths	41.444, 41.444, 116.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.790 - 1.500
Rwork	0.199
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.060	0.027	0.438
Number of reflections	31383
<I/σ(I)>	17.9
Completeness [%]	99.8	98.3	99.9
Redundancy	3.7	3.8	3.7

Crystallization Conditions

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