5W2D

Crystal structure of mutant CJ YCEI protein (CJ-G34C) 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	178.885, 178.885, 50.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.730 - 2.700
R-factor	0.232
Rwork	0.230
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w17
RMSD bond length	0.013
RMSD bond angle	1.826
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]	38.730	38.730	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.040	3.133
Rmeas	0.214	0.041	3.210
Rpim	0.047	0.009	0.694
Total number of observations	280434
Number of reflections	13638
<I/σ(I)>	13.2	13	0.2
Completeness [%]	99.9	99	100
Redundancy	20.6	17.6	21.2

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