9MEB

Photoactivation in Bacteriophytochrome, 100 ps structure

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	2022-02-06
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	83.690, 83.400, 86.870
Unit cell angles	90.00, 107.63, 90.00

Refinement procedure

Resolution	23.940 - 2.300
R-factor	0.2748
Rwork	0.271
R-free	0.35580
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.189
Data reduction software	CrystFEL (v9.0.1)
Data scaling software	CrystFEL (v9.0.1)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.300	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	52117	6584
<I/σ(I)>	6.4
Completeness [%]	100.0	100
Redundancy	921	598
CC(1/2)	0.990	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.6	291	mother liquor: 0.17 M Ammonium Acetate, 0.085 M Na-citrate, 25.5% PEG 4000, 15 % glycerol, 3 % benzamidine protein (60 mg/ml):mother liquor ratio: 2:3