6LH4

Crystal structural of MacroD1-ADPr complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	79.900, 106.200, 79.900
Unit cell angles	90.00, 120.00, 90.00

Refinement procedure

Resolution	32.896 - 1.999
R-factor	0.2422
Rwork	0.240
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x47
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.896	32.896	2.050
High resolution limit [Å]	1.999	8.940	2.000
Rmerge	0.046	0.010	0.573
Rmeas	0.064	0.015	0.810
Number of reflections	78021	1634	10109
<I/σ(I)>	13.12	59.25	1.68
Completeness [%]	89.0	94.5	89.4
Redundancy	1.895	1.941	1.9
CC(1/2)	0.999	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.1	0.2M Sodium thiocyanate, 20% PEG 3350