7OOL

Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop

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	2017-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	I 21 3
Unit cell lengths	140.080, 140.080, 140.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.300 - 2.850
R-factor	0.2627
Rwork	0.261
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2trx
RMSD bond length	0.003
RMSD bond angle	0.689
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.330	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.121	0.935
Rpim	0.074	0.557
Number of reflections	19411	1077
<I/σ(I)>	7.67	1.03
Completeness [%]	99.5	99.91
Redundancy	3.5	3.7
CC(1/2)	0.994	0.454

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	HAMPTON RESEARCH: HRI: C33 & C34 PEG-ION: C13