5W37

Crystal structure of mutant CJ YCEI protein (CJ-N182C) for nanotechnology applications

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-12-02
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	178.429, 178.429, 50.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.120 - 2.520
R-factor	0.2172
Rwork	0.215
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w17
RMSD bond length	0.014
RMSD bond angle	1.935
Data reduction software	XDS (20161101)
Data scaling software	SCALA (3.3.22)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.236	38.236	2.660
High resolution limit [Å]	2.520	7.970	2.520
Rmerge		0.024	3.000
Rmeas	0.141	0.024	3.090
Rpim	0.031	0.006	0.733
Total number of observations	336425
Number of reflections	16542
<I/σ(I)>	22.8	20	0.3
Completeness [%]	99.9	99.1	99.5
Redundancy	20.3	18.5	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	3.2 M ammonium aulfate, 0.1 M Bis-Tris