5W32

Crystal structure of mutant CJ YCEI protein (CJ-N48C) 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	2017-04-04
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	178.621, 178.621, 50.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.700 - 2.600
R-factor	0.2151
Rwork	0.214
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w2x
RMSD bond length	0.015
RMSD bond angle	2.051
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]	38.700	38.673	2.770
High resolution limit [Å]	2.600	8.320	2.630
Rmerge		0.036	1.614
Rmeas	0.099	0.038	1.683
Rpim	0.022	0.009	0.464
Number of reflections	14539
<I/σ(I)>	25.5	14	0.4
Completeness [%]	98.8	98	92.5
Redundancy	19.8	17.8	12.3

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