7SPV

Crystal structure of photoactive yellow protein (PYP); F92oCNF construct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.7126
Spacegroup name	P 65
Unit cell lengths	40.877, 40.877, 117.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.400 - 1.180
R-factor	0.166
Rwork	0.165
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nwz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.160	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.084	3.734
Rmeas	0.085	3.795
Rpim	0.013	0.659
Total number of observations	1534716	46743
Number of reflections	36561	1485
<I/σ(I)>	23.3	1.3
Completeness [%]	99.1	82
Redundancy	42	31.5
CC(1/2)	1.000	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	20 mM potassium phosphate, pH 6.0, 1 M NaCl; 2.0 M ammonium sulfate