6S7E

Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	46.410, 71.710, 73.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.457 - 1.820
R-factor	0.1903
Rwork	0.188
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.460	26.460	1.870
High resolution limit [Å]	1.820	8.140	1.820
Rmerge	0.077	0.039	1.708
Rmeas	0.084	0.043	1.856
Rpim	0.034	0.018	0.721
Total number of observations	138901	1564	10276
Number of reflections	22349	292	1593
<I/σ(I)>	12.1	33.6	1.2
Completeness [%]	99.1	96.6	98
Redundancy	6.2	5.4	6.5
CC(1/2)	0.998	0.998	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 0.2M NaF, 45 mg/ml protein, 8mM RAP2.12 peptide