5DAM

Crystal Structure of p-iodoHoechst bound to d(CGCAAATTTGCG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2001-01-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	24.638, 40.408, 64.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.1783
Rwork	0.178
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NDB ID GDL039
RMSD bond length	0.008
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.057	0.226
Number of reflections	4783
<I/σ(I)>	22.17	5.62
Completeness [%]	94.2	91.7
Redundancy	4.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	HANGING DROP, 19 DEG C