5OPK

Crystal structure of D52N/R367Q cN-II mutant bound to dATP and free phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	I 2 2 2
Unit cell lengths	91.579, 127.104, 130.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 1.740
R-factor	0.1797
Rwork	0.178
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k7y
RMSD bond length	0.013
RMSD bond angle	1.569
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.990	1.840
High resolution limit [Å]	1.736	1.740
Rmerge	0.093	0.830
Rmeas	0.101	0.905
Number of reflections	77607	11899
<I/σ(I)>	13.6	1.88
Completeness [%]	98.8	94.6
Redundancy	6.5	6.21
CC(1/2)	0.998	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MES/imidazole pH 6.5; 0.03 M of each divalent cation; 10% w/v PEG 8000, 20% v/v ethylene glycol (Morpheus condition A2)