6RNV

The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9159
Spacegroup name	P 31 2 1
Unit cell lengths	66.847, 66.847, 133.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.080 - 1.270
R-factor	0.1544
Rwork	0.153
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rd5
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.080	1.315
High resolution limit [Å]	1.270	1.270
Rmerge	0.093	0.875
Rmeas	0.095	0.913
Rpim	0.022	0.259
Number of reflections	91463	9068
<I/σ(I)>	14.73	2.36
Completeness [%]	98.8	96.46
Redundancy	17.5	12.1
CC(1/2)	0.993	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.01 M zinc chloride, 0.1 M sodium acetate pH 5.0, 20 % w/v PEG 6K