5ZB8

Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2012-09-04
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	257.354, 82.245, 116.581
Unit cell angles	90.00, 109.13, 90.00

Refinement procedure

Resolution	41.122 - 2.500
R-factor	0.1779
Rwork	0.176
R-free	0.20870
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.514
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	SHARP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.900	42.900	2.550
High resolution limit [Å]	2.500	12.750	2.500
Rmerge	0.081	0.038	0.529
Rmeas	0.084	0.040	0.559
Rpim	0.022	0.012	0.178
Number of reflections	78365	637	3663
<I/σ(I)>	32.7
Completeness [%]	98.1	97.2	80.6
Redundancy	13.7	11.8	9.4
CC(1/2)	0.999	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	298	0.1 M Tris HCl pH 7.1, 13% PEG 3000, 0.2 M calcium acetate