5NYV

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 S 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	42.535, 80.889, 85.633
Unit cell angles	90.00, 102.72, 90.00

Refinement procedure

Resolution	83.534 - 1.600
R-factor	0.1933
Rwork	0.193
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.833
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]	83.700
High resolution limit [Å]	1.600
Number of reflections	4516925
<I/σ(I)>	4.2
Completeness [%]	99.7
Redundancy	59.4

Crystallization Conditions

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