9F9D

Laser excitation effects on BR: Dark dataset recorded at SwissFEL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-12-08
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.02989
Spacegroup name	P 63
Unit cell lengths	62.950, 62.950, 111.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.020 - 1.700
R-factor	0.1405
Rwork	0.138
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.524
Data reduction software	CrystFEL (0.9.1)
Data scaling software	CrystFEL (0.9.1)
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.020	1.700
High resolution limit [Å]	1.650	1.650
Number of reflections	30124	2996
<I/σ(I)>	9.2	1.07
Completeness [%]	100.0	100
Redundancy	186	123

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		294	100 mM Na/K Phosphate buffer pH 5.6 30 % PEG 2000