6RCI

Crystal structure of REXO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	36.164, 128.492, 170.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.740 - 2.000
R-factor	0.2
Rwork	0.199
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.740	22.740	2.120
High resolution limit [Å]	2.000	5.940	2.000
Rmerge	0.091	0.037	0.786
Rmeas	0.108	0.044	0.935
Number of reflections	51266	1906	8188
<I/σ(I)>	8.47	27.23	1.26
Completeness [%]	98.8	96.8	97.8
Redundancy	3.428	3.397	3.352
CC(1/2)	0.997	0.998	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	100 mM Hepes pH 7.0, 200 mM sodium malonate, and 20 % polyethylene glycol 3350