8DZX

Crystal structure of photoactive yellow protein (PYP); F96oCNF M100K 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	65.765, 65.765, 41.187
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.370 - 1.140
R-factor	0.164
Rwork	0.163
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]	33.370	1.160
High resolution limit [Å]	1.140	1.140
Rmerge	0.128	2.878
Rmeas	0.130	2.933
Rpim	0.020	0.544
Total number of observations	1504406	37137
Number of reflections	36321	1367
<I/σ(I)>	17.9	1.3
Completeness [%]	98.6	74.9
Redundancy	41.4	27.2
CC(1/2)	1.000	0.641

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; 2.5 M ammonium sulfate