6UMY

Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.885570
Spacegroup name	P 63
Unit cell lengths	65.852, 65.852, 40.591
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.070 - 0.923
R-factor	0.123
Rwork	0.123
R-free	0.13830
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]	33.070	33.070	0.950
High resolution limit [Å]	0.920	4.120	0.920
Rmerge	0.048	0.023	1.696
Rmeas	0.049	0.023	1.756
Total number of observations	1675455
Number of reflections	67974	821	4515
<I/σ(I)>	32.27	162.04	1.45
Completeness [%]	98.6	99.9	88.8
Redundancy	24.648	36.371	14.828
CC(1/2)	1.000	1.000	0.600

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