5O2G

Crystal structure determination from picosecond infrared laser ablated protein crystals by 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	2016-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97627
Spacegroup name	P 1 21 1
Unit cell lengths	42.413, 80.349, 85.648
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	83.467 - 2.100
R-factor	0.2247
Rwork	0.222
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.800
Data reduction software	cctbx.xfel
Data scaling software	cctbx.prime
Phasing software	PHASER
Refinement software	PHENIX ((dev_2666: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	83.500
High resolution limit [Å]	2.100
Number of reflections	32773
<I/σ(I)>	3
Completeness [%]	99.9
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	18-20 % (w/v) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5