6HMN

POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909

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	CCD
Collection date	2012-10-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	67.330, 89.630, 96.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.170 - 2.870
R-factor	0.1649
Rwork	0.161
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a0d
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.170	2.950
High resolution limit [Å]	2.870	2.870
Rmerge	0.109	0.585
Number of reflections	13545
<I/σ(I)>	10.6	2
Completeness [%]	98.4	99.5
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein at 7.5 mg/mL in 50 mM HEPES, pH 7.0, 150 mM NaCl, 2 mM DTT was mixed with precipitant consisting of 18 - 23 percent PEG-3350, 0.2 M ammonium sulphate, 0.1 M PCTP pH 7.5 in a 1:1 ratio to give a 4 microL drop