5G3A

PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-22
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 61 2 2
Unit cell lengths	54.695, 54.695, 192.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.994 - 1.224
R-factor	0.1546
Rwork	0.153
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wu2
RMSD bond length	0.012
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.990	1.270
High resolution limit [Å]	1.220	1.220
Rmerge	0.080
Number of reflections	51297
<I/σ(I)>	22.57	1.73
Completeness [%]	100.0	99
Redundancy	18.8	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	10		VAPOR DIFFUSION 30 MG/ML PROTEIN, 0.1 M MES-NA PH 6, 0.2 M CALCIUM ACETATE, 30% PEG 400, 0.01 M TCEP