9QZT

Room temperature structure of Glycine max phyA in Pfr/Pr ensemble

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-08-27
Detector	AGIPD
Wavelength(s)	1.33
Spacegroup name	P 1 21 1
Unit cell lengths	56.450, 115.050, 69.800
Unit cell angles	90.00, 92.68, 90.00

Refinement procedure

Resolution	20.480 - 2.200
R-factor	0.1929
Rwork	0.191
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.332
Data reduction software	CrystFEL (v.0.10.2)
Data scaling software	CrystFEL (Partialator v.0.10.2)
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.790	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	45135	45048
<I/σ(I)>	7.88	0.71
Completeness [%]	100.0	100
Redundancy	1282.2	965.1
CC(1/2)	0.991	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	296	0.1 M Tris (base), BICINE pH 8.5, 18% v/v PEG 500MME 9% w/v PEG 20000