6S0P

Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	43.712, 68.994, 71.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.267 - 1.240
R-factor	0.1804
Rwork	0.179
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS (1.5.0-gbc51d76c-hotfix1)
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.980	68.980	1.260
High resolution limit [Å]	1.240	3.370	1.240
Rmerge	0.062	0.036	1.613
Rmeas	0.064	0.037	1.691
Rpim	0.018	0.497	0.497
Number of reflections	61822	3330	3020
<I/σ(I)>	12.7	58.8	0.9
Completeness [%]	100.0	100	100
Redundancy	12	11.9	11.6
CC(1/2)	0.999	0.999	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.18 to 2.3M (NH4)2SO4 and 0.10 M TrisHCl, protein concentration of 45 mg/mL