5Z23

Crystal structure of the nucleosome containing a chimeric histone H3/CENP-A CATD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-10
Detector	RAYONIX MX-225
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	99.641, 100.745, 173.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.884 - 2.730
R-factor	0.2055
Rwork	0.203
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3afa
RMSD bond length	0.010
RMSD bond angle	1.208
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.810
High resolution limit [Å]	2.710	5.840	2.710
Rmerge	0.071	0.048	0.492
Rmeas	0.077	0.053	0.546
Rpim	0.030	0.020	0.233
Total number of observations	258570
Number of reflections	45350	4916	4180
<I/σ(I)>	15
Completeness [%]	96.5	99	90.3
Redundancy	5.7	6.7	4.8
CC(1/2)		0.998	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	potassium cacodylate, potassium chloride, manganese chloride