7QD1

Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	63.363, 65.902, 77.372
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	41.710 - 1.710
R-factor	0.1824
Rwork	0.181
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mg1
RMSD bond length	0.005
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]	75.580	1.750
High resolution limit [Å]	1.710	1.710
Rmerge	0.063	0.685
Rmeas	0.074	0.877
Rpim	0.038	0.547
Number of reflections	60669	2735
<I/σ(I)>	11.16	1.21
Completeness [%]	90.0	54.8
Redundancy	3.5	2.4
CC(1/2)	0.997	0.426

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.2 M Bis-Tris pH 5.5, 20%-25% PEG 3550