4F0E

Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93928
Spacegroup name	P 1 21 1
Unit cell lengths	69.676, 45.383, 123.389
Unit cell angles	90.00, 90.25, 90.00

Refinement procedure

Resolution	38.028 - 2.400
R-factor	0.2241
Rwork	0.220
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.003
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.159	0.692
Number of reflections	30110
<I/σ(I)>	9.1	3.8
Completeness [%]	98.1	91.1
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	10.5	293	40% 2-methyl-1,3-propanediol, 0.1 M CAPS, 2mM STO1102, pH 10.5, VAPOR DIFFUSION, temperature 293K