6RNW

The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 31 2 1
Unit cell lengths	66.990, 66.990, 131.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.570 - 1.920
R-factor	0.1721
Rwork	0.171
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rd5
RMSD bond length	0.006
RMSD bond angle	0.926
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.570	1.989
High resolution limit [Å]	1.920	1.920
Rmerge	0.127	1.588
Rmeas	0.134	1.687
Rpim	0.044	0.565
Number of reflections	26888	2619
<I/σ(I)>	10.1	1.31
Completeness [%]	100.0	100
Redundancy	9.2	8.7
CC(1/2)	0.998	0.489

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 (A12, PACT screen, Molecular Dimensions Ltd., Newmarket, UK)