1M1A

LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	106.719, 109.196, 177.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 - 2.650
Rwork	0.223
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aoi
RMSD bond length	0.009 *
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000
High resolution limit [Å]	2.650	2.650
Rmerge	0.064	0.286
Number of reflections	61273 *
<I/σ(I)>	18.2	2.1
Completeness [%]	99.4 *	96.9
Redundancy	19.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	292	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		40-45 (mM)
2	1	reservoir		35-38.8 (mM)
3	1	drop	potassium cacodylate	20 (mM)	pH6.0
4	1	drop	protein	4 (mg/ml)