7QCZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-10-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	82.010, 67.500, 61.940
Unit cell angles	90.00, 117.82, 90.00

Refinement procedure

Resolution	18.260 - 1.850
R-factor	0.1787
Rwork	0.175
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mg1
RMSD bond length	0.005
RMSD bond angle	0.854
Data reduction software	TRUNCATE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.230	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.052	0.581
Rmeas	0.066	0.739
Rpim	0.040	0.451
Number of reflections	23806	2022
<I/σ(I)>	11.96	1.83
Completeness [%]	92.9	79.92
Redundancy	2.4	2.3
CC(1/2)	0.997	0.675

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