5VC8

Crystal structure of the WHSC1 PWWP1 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	P 43 21 2
Unit cell lengths	82.990, 82.990, 115.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.110 - 1.800
R-factor	0.2009
Rwork	0.200
R-free	0.22860
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.824
Data reduction software	xia2
Data scaling software	Aimless (0.5.31)
Phasing software	SHELXDE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.110	37.110	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.071	0.058	1.060
Rmeas	0.074	0.061	1.099
Rpim	0.020	0.018	0.289
Total number of observations	543668
Number of reflections	38039
<I/σ(I)>	28.5
Completeness [%]	100.0	99.2	100
Redundancy	14.3	11	14.3
CC(1/2)	0.999	0.997	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1M sodium iodide,0.1M magnesium nitrate, 25%PEG3350