5V2C

RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-21
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	122.190, 228.510, 286.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	178.620 - 1.900
R-factor	0.09516
Rwork	0.092
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ARC
RMSD bond length	0.021
RMSD bond angle	3.270
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	178.620	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.773
Number of reflections	622012
<I/σ(I)>	21.57	2.63
Completeness [%]	99.6	99.7
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	6.1	285	5% PEG1450, 20MM NACL, 10MM CACL2, 40MM MGSO4, 20MM MES BUFFER, PH 6.1, MICRO-BATCH METHOD UNDER OIL, TEMPERATURE 285K