1SGS

Crystal structure of a free kB DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	105
Detector technology	AREA DETECTOR
Collection date	2003-07-01
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	38.916, 38.916, 158.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 1.600
R-factor	0.207
Rwork	0.207
R-free	0.21500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ram
RMSD bond length	0.008
RMSD bond angle	1.540 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.039 *	0.256 *
Total number of observations	242967 *
Number of reflections	6341
<I/σ(I)>	29.4	12
Completeness [%]	99.0 *	91 *
Redundancy	37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	PEG 3350, BOG, CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA complex	12 (mg/ml)
2	1	reservoir	PEG3350	15-20 (%(w/v))
3	1	reservoir	beta-octylglucopyranoside	0.05 (%(w/v))
4	1	reservoir	spermine	5 (mM)
5	1	reservoir	Tris-HCl	0.1 (M)	pH7.5
6	1	reservoir		0.2-0.4 (M)