2R2S

Co(III)bleomycinB2 bound to d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2006-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.039341
Spacegroup name	P 21 21 2
Unit cell lengths	52.304, 144.508, 50.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.228
R-free	0.30800
RMSD bond length	0.009
RMSD bond angle	1.350
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.092	0.043	0.368
Number of reflections	9748
<I/σ(I)>	13.7
Completeness [%]	96.8	97.2	82
Redundancy	4.1	4.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	PEG 4000, MgCl2, pH 6.5, vapor diffusion, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 4000
2	1	1	MgCl2
3	1	2	PEG 4000
4	1	2	MgCl2