5W2X

Crystal structure of mutant CJ YCEI protein (CJ-N48C) 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	2017-04-04
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	179.149, 179.149, 50.766
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.820 - 2.730
R-factor	0.2116
Rwork	0.210
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w17
RMSD bond length	0.014
RMSD bond angle	1.918
Data reduction software	XDS (20161101)
Data scaling software	SCALA (3.3.22)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.787	38.787	2.880
High resolution limit [Å]	2.730	8.630	2.730
Rmerge		0.046	6.764
Rmeas	0.201	0.047	6.925
Rpim	0.044	0.011	1.472
Total number of observations	278863
Number of reflections	13248
<I/σ(I)>	13.5	11.7	0.1
Completeness [%]	99.8	98.9	98.9
Redundancy	21	17.5	21.8

Crystallization Conditions

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