9ER4

Room temperature structure of Glycine max phyA in Pr

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	2023-08-24
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	0.2058
Rwork	0.204
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.464
Data reduction software	CrystFEL (v0.10.2)
Data scaling software	CrystFEL (Partialator v0.10.2)
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.490	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	45132	2808
<I/σ(I)>	5.58	0.96
Completeness [%]	100.0	100
Redundancy	491.6	371.1
CC(1/2)	0.978	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	295	PEG20K 9%, PEG500MME 18%, 0.1 M Tris-Bicine pH 8.5