4N4I

Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.3K36me3

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	2012-11-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	64.013, 64.013, 122.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.453 - 1.999
R-factor	0.2011
Rwork	0.199
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n4g
RMSD bond length	0.008
RMSD bond angle	1.179
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	1.999	5.430	1.999
Rmerge	0.112	0.066	0.828
Number of reflections	18020
<I/σ(I)>	16.1
Completeness [%]	99.8	98.8	100
Redundancy	11.7	10.4	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	289	25% (w/v) polyethylene glycol 4000, 0.1M Tris-HCl, pH 8.3, 0.2M Li2SO4, vapor diffusion, hanging drop, temperature 289K