3OH6

AlkA Undamaged DNA Complex: Interrogation of a C:G base pair

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	77
Detector technology	CCD
Collection date	2009-04-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.91970
Spacegroup name	I 41 2 2
Unit cell lengths	140.300, 140.300, 94.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.998 - 2.894
R-factor	0.229
Rwork	0.227
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1diz
RMSD bond length	0.006
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.894	6.240	2.900
Rmerge	0.106	0.064	0.493
Number of reflections	10809
<I/σ(I)>	8.4
Completeness [%]	99.8	98.6	100
Redundancy	9.2	8.4	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	25-29% peg3350, 100mM BisTris, 200mM Li2SO4, 3% 6-aminocaproic acid, pH 6.0-6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K