7UNH

De novo designed chlorophyll dimer protein in apo state, SP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-26
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	54.131, 76.140, 63.234
Unit cell angles	90.00, 99.06, 90.00

Refinement procedure

Resolution	28.890 - 2.400
R-factor	0.2139
Rwork	0.208
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computationally generated
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (1.17)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.890	28.890	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.082	0.029	0.213
Rmeas	0.083	0.030	0.215
Rpim	0.012	0.005	0.030
Total number of observations	970649	11910	103002
Number of reflections	19943	384	2071
<I/σ(I)>	50.1	82.2	22.7
Completeness [%]	99.9	97	100
Redundancy	48.7	31	49.7
CC(1/2)	1.000	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	24% PEG 3350, 140mM KCl