8DEL

Trimeric Heme-Free Cytochrome Variant ApoCyt-TriCyt3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-16
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	43.778, 77.076, 92.653
Unit cell angles	90.00, 98.69, 90.00

Refinement procedure

Resolution	45.800 - 2.560
R-factor	0.2102
Rwork	0.203
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wzc
RMSD bond length	0.009
RMSD bond angle	1.103
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.650
High resolution limit [Å]	2.560	2.560
Rmerge	0.064	0.533
Rmeas	0.068	0.592
Rpim	0.021	0.255
Number of reflections	9904	981
<I/σ(I)>	17.2	2.2
Completeness [%]	99.9	99.4
Redundancy	8.9	5.3
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	25% PEG 1500, 200 mM (NH4)2SO4, 100 mM Bis-Tris pH 5.5