5OPL

Crystal structure of K25E cN-II mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-02
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	92.262, 127.576, 129.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.050 - 1.800
R-factor	0.19047
Rwork	0.190
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.659
Rmeas	0.063	0.916
Number of reflections	66924	7678
<I/σ(I)>	16	0.84
Completeness [%]	94.2	67.7
Redundancy	3.9	1.46
CC(1/2)	0.999	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MOPS/HEPES-Na pH 7.5; 0.02 M of each carboxylic acid ; 10% w/v PEG 8000, 20% v/v ethylene glycol G6 Morpheus condition