6FSX

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	41.780, 79.380, 84.470
Unit cell angles	90.00, 102.88, 90.00

Refinement procedure

Resolution	82.345 - 1.800
R-factor	0.1706
Rwork	0.169
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.460	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	49797
<I/σ(I)>	11.1
Completeness [%]	100.0	99.9
Redundancy	268.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		273	(18-20 percent (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5