7YZQ

MgADP-AlF4-bound DCCP:DCCP-R complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91841
Spacegroup name	P 1
Unit cell lengths	78.032, 81.587, 121.485
Unit cell angles	100.83, 96.92, 90.17

Refinement procedure

Resolution	46.160 - 1.960
R-factor	0.1784
Rwork	0.178
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eno
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.160	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.118
Number of reflections	202797	19327
<I/σ(I)>	7.7
Completeness [%]	96.1
Redundancy	3.51
CC(1/2)	0.993	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	ammonium sulfate, Tris-HCl pH 8.0, PEG 4000