1HLV

CRYSTAL STRUCTURE OF CENP-B(1-129) COMPLEXED WITH THE CENP-B BOX DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-10
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 31 1 2
Unit cell lengths	83.374, 83.374, 139.021
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.2253 *
Rwork	0.222
R-free	0.26530 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	18.420 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.049 *	0.216
Total number of observations	619774 *
Number of reflections	19126 *
<I/σ(I)>	13.9
Completeness [%]	98.5 *	99.8
Redundancy	20.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	MPD, potassium cacodylate, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MPD
2	1	1	potassium cacodylate
3	1	1	MgCl2
4	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3-6 (mg/ml)
2	1	reservoir	sodium acetate	100 (mM)
3	1	reservoir	sodium cacodylate	50 (mM)	pH6.5
4	1	reservoir		15 (%)