5W2V

Crystal structure of mutant CJ YCEI protein (CJ-G34C) with selenocysteine guest structure

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	178.022, 178.022, 50.707
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.570 - 2.900
R-factor	0.2151
Rwork	0.213
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w2d
RMSD bond length	0.012
RMSD bond angle	1.693
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]	38.570	38.543	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge		0.054	2.341
Rmeas	0.210	0.056	2.441
Rpim	0.048	0.013	0.675
Number of reflections	10946
<I/σ(I)>	10.7	10.1	0.3
Completeness [%]	99.7	98.7	98.3
Redundancy	18.5	16.3	12.5

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