6HML

POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	67.310, 90.190, 95.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.310 - 2.250
R-factor	0.1639
Rwork	0.162
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a0d
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.310	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.083	0.758
Number of reflections	28396
<I/σ(I)>	15.2	2.7
Completeness [%]	99.9	99.9
Redundancy	6.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Mix 750 nL purified protein at 7.5 mg per mL in 50mM HEPES, pH 7.0, 150 mM NaCl, 2mM DTT with 250 nL of seed stock and 1000 nL of a precipitant consisting of 18-23 percent PEG 3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5. Seed stock was prepared using a Seed Bead from a co-crystal with ADP-ribose, with co-crystallisation mother liquor (19 percent PEG 3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5) as the stabilising solution