3QO2

Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	53.461, 53.461, 238.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.938 - 2.490
R-factor	0.2182
Rwork	0.215
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lwe
RMSD bond length	0.009
RMSD bond angle	1.054
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.940	2.580
High resolution limit [Å]	2.490	2.490
Rmerge	0.131	0.864
Number of reflections	13038
<I/σ(I)>	15.5	2.2
Completeness [%]	100.0	99.7
Redundancy	9.2	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	15 % w/v polyethylene glycol PEG400, 30 % w/v PEG 1500 and 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K