5OPO

Crystal structure of R238G cN-II mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	RAYONIX MX-225
Wavelength(s)	0.894
Spacegroup name	I 2 2 2
Unit cell lengths	91.612, 126.862, 130.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 2.000
R-factor	0.1721
Rwork	0.171
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k7y
RMSD bond length	0.012
RMSD bond angle	1.512
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.090
High resolution limit [Å]	1.969	1.970
Rmerge	0.099	0.751
Rmeas	0.112	0.849
Number of reflections	54032	8599
<I/σ(I)>	13.6	1.98
Completeness [%]	99.8	99.3
Redundancy	4.6	4.58
CC(1/2)	0.998	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MOPS/HEPES-Na pH 7.5; 0.03 M of each divalent cation ; 10% w/v PEG 4000, 20% v/v glycerol A7 Morpheus condition