9DZP

Photoactivation in Bacteriophytochromes, reference (dark) structure for the 100 ps time point

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-02-05
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	83.580, 83.040, 86.880
Unit cell angles	90.00, 107.74, 90.00

Refinement procedure

Resolution	26.180 - 1.930
R-factor	0.2109
Rwork	0.209
R-free	0.25340
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.014
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.200	2.010
High resolution limit [Å]	1.930	1.930
Number of reflections	81351	8910
<I/σ(I)>	7.04	0.5
Completeness [%]	100.0	100
Redundancy	1644	1156
CC(1/2)	0.990	0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	mother liquor: Hampton Crystal Screen Cryo HR2-122, #9 (PEG 4000), benzamidine HCl (3%) protein (60 mg/ml) to mother liquor 2:3.