7QD0

Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the C2 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	81.400, 64.870, 61.690
Unit cell angles	90.00, 117.91, 90.00

Refinement procedure

Resolution	32.440 - 1.700
R-factor	0.1798
Rwork	0.178
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mg1
RMSD bond length	0.007
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.19_4080)
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.440	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.723
Rmeas	0.055	0.723
Rpim	0.030	0.388
Number of reflections	30918	3107
<I/σ(I)>	13.78	1.85
Completeness [%]	98.6	99.42
Redundancy	3.3	3.4
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M sodium acetate, pH 5 and 10-20% PEG4000