6UN2

Crystal structure of photoactive yellow protein (PYP); C69U construct (selenocysteine incorporation)

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	2019-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.72929
Spacegroup name	P 63
Unit cell lengths	65.859, 65.859, 40.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.323 - 0.970
R-factor	0.1349
Rwork	0.134
R-free	0.15670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nwz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13rc2_2986)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.323	23.323	1.000
High resolution limit [Å]	0.970	4.340	0.970
Rmerge	0.082	0.032	2.729
Rmeas	0.083	0.033	2.764
Total number of observations	2385798
Number of reflections	59305	705	4304
<I/σ(I)>	23.8	125.38	1.15
Completeness [%]	99.9	99.9	98.1
Redundancy	40.229	40.515	38.654
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, 1.9 M ammonium sulfate