8W08

Crystal Structure of the worst case reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-04
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 2 21 21
Unit cell lengths	42.461, 106.831, 114.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.520 - 1.880
R-factor	0.1942
Rwork	0.193
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.520	1.920
High resolution limit [Å]	1.880	1.880
Number of reflections	43361	2757
<I/σ(I)>	20.7	2
Completeness [%]	99.9
Redundancy	13	9.5
CC(1/2)	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M ammonium fluoride, 20 % w/v PEG 3350