8GN2

Crystal structure of PPBQ-bound photosystem II complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-13
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	124.018, 229.579, 287.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 1.950
R-factor	0.154
Rwork	0.153
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wu2
RMSD bond length	0.008
RMSD bond angle	1.214
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.061	1.465
Number of reflections	583631	57320
<I/σ(I)>	18.6	1.4
Completeness [%]	98.7	97.6
Redundancy	7	7
CC(1/2)	1.000	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.1	285	5% PEG1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM MES buffer, pH 6.1, MICRO-BATCH METHOD UNDER OIL, temperature 285K