6OOD

Structure of the pterocarpan synthase dirigent protein PsPTS1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 3
Unit cell lengths	78.893, 78.893, 78.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.282 - 1.500
R-factor	0.1638
Rwork	0.162
R-free	0.19070
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.300	1.510
High resolution limit [Å]	1.480	1.480
Rmeas	0.073	1.065
Rpim	0.026	0.387
Number of reflections	27529	1369
<I/σ(I)>	14.6
Completeness [%]	99.9
Redundancy	7.6
CC(1/2)	0.999	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	298	0.25 M sodium acetate trihydrate, pH 4.9, 10 % (w/v) PEG 3350