9F9E

Laser excitation effects on BR: Extrapolated 6 ps Light dataset recorded at 342 GW/cm2 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]	293
Detector technology	PIXEL
Collection date	2018-12-08
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.028919
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	15.740 - 1.800
R-factor	0.2589
Rwork	0.255
R-free	0.30370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.883
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	1.770
High resolution limit [Å]	1.710	1.710
Number of reflections	27072	2685
<I/σ(I)>	9.21	1.06
Completeness [%]	100.0	100
Redundancy	224	146

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