6HH6

Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9174
Spacegroup name	P 21 21 21
Unit cell lengths	67.316, 90.875, 95.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.150 - 1.850
R-factor	0.16759
Rwork	0.166
R-free	0.20027
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a7r
RMSD bond length	0.012
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.090	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.221	2.674
Rmeas	0.239	2.916
Rpim	0.064	1.150
Number of reflections	50546	3055
<I/σ(I)>	10	1.3
Completeness [%]	99.8	99.2
Redundancy	13.3	12.3
CC(1/2)	0.996	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% PEG3350, 0.2 M AMMONIUM SULFATE, 0.1 M PCTP PH 7.5