6OOC

Structure of the pterocarpan synthase dirigent protein GePTS1

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	2018-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	162.572, 162.572, 99.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.049 - 2.600
R-factor	0.1989
Rwork	0.197
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lal
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.690
High resolution limit [Å]	2.600	2.600
Rmeas	0.125	1.821
Rpim	0.037	0.526
Number of reflections	46983	4596
<I/σ(I)>	13.1
Completeness [%]	100.0
Redundancy	11.5
CC(1/2)	0.997	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	0.1 M sodium phosphate-monobasic, 0.18 M sodium citrate pH 4.2, 9% PEG 20000 (w/v)