6P5E

Photoactive Yellow Protein PYP 80ps

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]	300
Detector technology	PIXEL
Collection date	2019-03-07
Detector	AGIPD
Wavelength(s)	1.3
Spacegroup name	P 63
Unit cell lengths	66.900, 66.900, 40.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	11.810 - 1.600
R-factor	0.27392
Rwork	0.271
R-free	0.32597
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.256
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.810	1.641
High resolution limit [Å]	1.600	1.600
Number of reflections	12072	721
<I/σ(I)>	9.3
Completeness [%]	91.4
Redundancy	156.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		293	Sodium Malonate