5MX2

Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A resolution

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	2016-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	116.326, 219.617, 304.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.652 - 2.197
R-factor	0.2139
Rwork	0.211
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pj0
RMSD bond length	0.013
RMSD bond angle	1.179
Data reduction software	XDS (VERSION Oct 15, 2015)
Data scaling software	XDS (VERSION Oct 15, 2015)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	2.276
High resolution limit [Å]	2.197	2.197
Rmerge	0.250	3.270
Number of reflections	364603	25404
<I/σ(I)>	9.34	0.44
Completeness [%]	93.0	65
Redundancy	11.2	5.2
CC(1/2)	0.993	0.132

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	291	equal volumes of buffer: 0.1 M Tris-HCl pH 7.5, 0.1 M (NH4)2SO4, 14-18 % PEG 5000 MME and protein: 2 mM chlorophyll equivalent of PSII in C12E8 detergent, post crystallisation treatment