6HMM

POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-15
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	67.081, 90.367, 95.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 1.900
R-factor	0.2041
Rwork	0.201
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a0d
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.410	1.990
High resolution limit [Å]	1.890	1.890
Rmerge	0.079	0.457
Number of reflections	45150
<I/σ(I)>	12	2
Completeness [%]	95.7	78.3
Redundancy	4.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Mix purified protein in 50 mM HEPES, pH 7.0, 150 mM NaCl, 2 mM DTT at 7.5 mg/mL with a precipitant consisting of 28% PEG-3350, 0.2 M magnesium chloride, 0.1 M PCTP (0.04 M sodium propionate, 0.02 M sodium cacodylate, 0.04 M Bis-Tris propane) pH 7.5.