6OQM

crystal structure of the MSH6 PWWP domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	H 3 2
Unit cell lengths	56.421, 56.421, 176.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.382 - 2.200
R-factor	0.2217
Rwork	0.217
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vc8
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.090	47.090	2.270
High resolution limit [Å]	2.200	9.060	2.200
Rmerge	0.056	0.022	1.325
Rmeas	0.059	0.024	1.392
Rpim	0.018	0.008	0.423
Total number of observations	61628
Number of reflections	5806	106	497
<I/σ(I)>	25.6
Completeness [%]	99.9	99.3	98.8
Redundancy	10.6	7.8	10.7
CC(1/2)	1.000	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.6 M ammonium sulfate, 0.1 M sodium cacodylate pH 5.5, 0.01 M magnesium chloride