5K21

Pyocyanin demethylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	65.330, 72.980, 79.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.980 - 1.800
Rwork	0.168
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	34.980
High resolution limit [Å]	1.800
Rmerge	0.176
Number of reflections	35992
<I/σ(I)>	13.29
Completeness [%]	100.0
Redundancy	25.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% w/v PEG 8000, 200 mM NaCl, 200 micromolar 1-hydroxyphenazine, 1% DMSO, and 100 mM sodium phosphate dibasic/citric acid, pH 4.2 mixed 1:1 with 5 mg/mL protein in 20 mM Tris, pH 7.6