5OPN

Crystal structure of R39Q cN-II mutant

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	2016-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	I 2 2 2
Unit cell lengths	91.469, 127.115, 130.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 1.770
R-factor	0.1799
Rwork	0.179
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k7y
RMSD bond length	0.012
RMSD bond angle	1.490
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]	48.450	1.870
High resolution limit [Å]	1.766	1.770
Rmerge	0.054	0.612
Rmeas	0.063	0.710
Number of reflections	73833	11758
<I/σ(I)>	16.7	1.91
Completeness [%]	99.1	98.9
Redundancy	4.6	3.81
CC(1/2)	0.999	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MES/imidazole pH 6.5; 0.02 M of each carboxylic acid; 10% w/v PEG 20 000, 20% v/v PEG MME 550 G1 Morpheus condition