8V2W

Crystal Structure of the ancestral triosephosphate isomerase reconstruction of the last opisthokont common ancestor obtained by Bayesian inference

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-30
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	93.525, 47.579, 64.308
Unit cell angles	90.00, 126.00, 90.00

Refinement procedure

Resolution	31.910 - 1.380
R-factor	0.161
Rwork	0.161
R-free	0.16990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.267
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.912	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.073	0.479
Number of reflections	46451	2219
<I/σ(I)>	27.3	2
Completeness [%]	98.5	96.8
Redundancy	3.2	2.1
CC(1/2)	0.910	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M BICINE pH 8.5, 15 % w/v PEG 1500