7ZXV

Orange Carotenoid Protein Trp-288 BTA mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	83.195, 83.195, 88.648
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.910 - 1.800
R-factor	0.1753
Rwork	0.173
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tuw
RMSD bond length	0.012
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.050	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.114	4.998
Rmeas	0.120	5.574
Rpim	0.037	1.628
Number of reflections	32925	1940
<I/σ(I)>	13.7	0.6
Completeness [%]	98.7	100
Redundancy	20.2	20.1
CC(1/2)	0.999	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M MgCl2, 0.1 M Tris pH=7.0, 10 %(w/v) PEG 8000