7SPX

Crystal structure of photoactive yellow protein (PYP); F28oCNF construct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	P 63
Unit cell lengths	66.028, 66.028, 40.637
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.120 - 0.970
R-factor	0.1446
Rwork	0.143
R-free	0.16630
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	Inner shell	Outer shell
Low resolution limit [Å]	40.640	40.640	0.980
High resolution limit [Å]	0.970	5.290	0.970
Rmerge	0.081	0.025	1.813
Rmeas	0.084	0.026	1.911
Rpim	0.023	0.007	0.591
Total number of observations	784978	5688	23433
Number of reflections	59975	403	2474
<I/σ(I)>	17.6	83.8	1.2
Completeness [%]	99.2	99.8	83.1
Redundancy	13.1	14.1	9.5
CC(1/2)	1.000	1.000	0.553

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; 2.2 M ammonium sulfate