3AJK

Crystal structure of d(CGCGGATf5UCGCG): 5-Formyluridine:Guanosine Base-pair in B-DNA with Hoechst33258

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	25.327, 40.331, 65.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.20866
Rwork	0.203
R-free	0.26103
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	355d
RMSD bond length	0.019
RMSD bond angle	3.096
Data reduction software	DPS
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.042	0.331
Number of reflections	5312
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	20mM Na cacodylate, 0.5mM Spermine, 40mM NaCl, 10mM MgCl2, 5% MPD, 0.5mM Hoechst33258, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K