7SJJ

Crystal structure of photoactive yellow protein (PYP); F96oCNF 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 XE 16M
Wavelength(s)	0.7126
Spacegroup name	P 63
Unit cell lengths	66.164, 66.164, 40.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.290 - 0.950
R-factor	0.14
Rwork	0.139
R-free	0.15900
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]	33.290	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.114	3.012
Rmeas	0.116	3.081
Rpim	0.018	0.620
Total number of observations	2546198	49902
Number of reflections	61787	2194
<I/σ(I)>	17.9	1.2
Completeness [%]	97.2	69.4
Redundancy	41.2	22.7
CC(1/2)	1.000	0.456

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; 2.1 M ammonium sulfate