4KUD

Crystal structure of N-terminal acetylated Sir3 BAH domain D205N mutant in complex with yeast nucleosome core particle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 61
Unit cell lengths	108.330, 108.330, 498.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.386 - 3.203
R-factor	0.1997
Rwork	0.198
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1id3 2fvu
RMSD bond length	0.006
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.101	0.677
Number of reflections	54233
<I/σ(I)>	17.5	2.7
Completeness [%]	99.3	99.2
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	289	16% PEG 400, 0.1M KCl, 0.01M CaCl2, 0.05M sodium citrate(pH4.8), VAPOR DIFFUSION, HANGING DROP, temperature 289K