1ILC

DNA Bending by an Adenine-Thymine Tract and Its Role in Gene Regulation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-10
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	39.821, 40.160, 39.460
Unit cell angles	74.42, 76.44, 59.90

Refinement procedure

Resolution	19.000 - 2.200
R-factor	0.224
Rwork	0.222
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fiber model of B-DNA
RMSD bond length	0.010
RMSD bond angle	17.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MFT
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.051	0.564 *
Total number of observations	36389 *
Number of reflections	9810
<I/σ(I)>	25.8	2
Completeness [%]	95.7	95
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	19 *	MPD, magnesium chloride, spermine.4HCl, Na cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MPD
2	1	1	Mg2Cl
3	1	1	spermine.4HCl
4	1	1	Na cacodylate
5	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	2 (mg/ml)
2	1	drop		76 (mM)
3	1	drop	spermine-4HCl	1 (mM)
4	1	drop	sodium cacodylate	20 (mM)	pH7.0
5	1	drop		15 (%(w/v))
6	1	reservoir	MPD	37 (%(w/v))
7	1	reservoir	sodium cacodylate	20 (mM)	pH7.0