7SPW

Crystal structure of photoactive yellow protein (PYP); F62oCNF 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	2020-11-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.7126
Spacegroup name	P 65
Unit cell lengths	40.446, 40.446, 117.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.030 - 1.050
R-factor	0.146
Rwork	0.145
R-free	0.15800
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]	39.090	1.070
High resolution limit [Å]	1.050	1.050
Rmerge	0.140	1.001
Rmeas	0.142	1.042
Rpim	0.022	0.281
Total number of observations	1785472	26043
Number of reflections	49784	2032
<I/σ(I)>	17.5	2.2
Completeness [%]	98.4	80.6
Redundancy	35.9	12.8
CC(1/2)	0.998	0.855

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; 2.4 M ammonium sulfate