5LHB

POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	67.010, 89.730, 95.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.610 - 2.230
R-factor	0.1647
Rwork	0.162
R-free	0.21150
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]	33.510	2.370
High resolution limit [Å]	2.230	2.230
Rmerge	0.109	0.614
Number of reflections	28669
<I/σ(I)>	8.6	3
Completeness [%]	99.8	99.7
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG 3350, 36.4MM PCTP PH 4, 63.6MM PCTP PH 10, 0.2M AMMONIUM SULPHATE