6FTR

Serial Femtosecond Crystallography at Megahertz pulse rates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-09-14
Detector	AGIPD
Wavelength(s)	1.3332
Spacegroup name	P 43 21 2
Unit cell lengths	79.300, 79.300, 37.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.994 - 1.760
R-factor	0.157027336738
Rwork	0.155
R-free	0.17307
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4et9
RMSD bond length	0.010
RMSD bond angle	1.078
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.823
High resolution limit [Å]	1.760	1.760
Number of reflections	12387	582
<I/σ(I)>	7.27	2.43
Completeness [%]	99.6	95.88
Redundancy	133.725	6.8
CC(1/2)	0.980	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3.5	293	NaCl, ethylene glycol, PEG 3350, acetate buffer pH 3.5