9DZ3

Photoactivation in Bacteriophytochromes, reference (dark) structure for the 3 ps time point

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-02-25
Detector	SLAC ePix10k 2M
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	83.580, 83.040, 86.790
Unit cell angles	90.00, 107.74, 90.00

Refinement procedure

Resolution	27.300 - 2.300
R-factor	0.1939
Rwork	0.191
R-free	0.25090
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.500	2.430
High resolution limit [Å]	2.300	2.300
Number of reflections	50738	5042
<I/σ(I)>	5.8	0.22
Completeness [%]	100.0	100
Redundancy	963	664
CC(1/2)	0.990	0.110

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	Hampton Crystal Screen Cryo HR2-122, #9 (PEG 4000), benzamidine HCl (3%)